 Entering Gaussian System, Link 0=g16
 Input=35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2SVPDr.in
 Output=35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/35_ZrEnThind2Cl2_STD/Gau-11793.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/35_ZrEnThind2Cl2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11794.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.918209000000      1.527121000000     -0.682574000000
  C                                                 2.052734000000      0.968458000000      0.412061000000
  C                                                 2.364189000000     -0.241441000000      1.088305000000
  C                                                 3.577190000000     -1.064866000000      0.781263000000
  C                                                 4.282075000000     -0.590418000000     -0.495594000000
  C                                                 4.329790000000      0.935431000000     -0.589615000000
  C                                                 1.425242000000     -0.413216000000      2.122923000000
  C                                                 0.552885000000      0.704830000000      2.114383000000
  C                                                 0.945006000000      1.572201000000      1.068423000000
  C                                                 0.305502000000      2.879578000000      0.707900000000
  C                                                -0.228659000000      2.866811000000     -0.734154000000
  C                                                -0.880051000000      1.559894000000     -1.081878000000
  C                                                -2.024720000000      0.983630000000     -0.466414000000
  C                                                -2.339028000000     -0.221680000000     -1.155258000000
  C                                                -1.360182000000     -0.422752000000     -2.143889000000
  C                                                -0.461006000000      0.671681000000     -2.101673000000
  C                                                -2.923964000000      1.573874000000      0.582126000000
  C                                                -3.996477000000      0.575127000000      1.033762000000
  C                                                -4.616608000000     -0.165400000000     -0.152513000000
  C                                                -3.574096000000     -1.023204000000     -0.880509000000
  Zr                                               -0.005023000000     -0.523739000000      0.027195000000
  Cl                                                1.213296000000     -2.195185000000     -1.256229000000
  Cl                                               -1.343389000000     -1.980750000000      1.446553000000
  H                                                -0.277937000000      0.863268000000      2.783840000000
  H                                                 1.369460000000     -1.251612000000      2.797258000000
  H                                                 2.504590000000      1.300958000000     -1.669618000000
  H                                                 2.954314000000      2.616832000000     -0.606795000000
  H                                                 4.913581000000      1.242678000000     -1.459626000000
  H                                                 4.833706000000      1.343637000000      0.292621000000
  H                                                 3.751294000000     -0.985239000000     -1.363847000000
  H                                                 5.292611000000     -1.002096000000     -0.525206000000
  H                                                 4.261950000000     -0.975336000000      1.631792000000
  H                                                 3.315779000000     -2.120544000000      0.697471000000
  H                                                 1.021760000000      3.697458000000      0.830692000000
  H                                                -0.506727000000      3.076990000000      1.407133000000
  H                                                 0.592017000000      3.037050000000     -1.431518000000
  H                                                -0.933558000000      3.690636000000     -0.878353000000
  H                                                 0.395438000000      0.811580000000     -2.742403000000
  H                                                -1.295578000000     -1.267115000000     -2.809824000000
  H                                                -3.406189000000      2.463482000000      0.158864000000
  H                                                -2.357455000000      1.923597000000      1.446719000000
  H                                                -4.768108000000      1.104982000000      1.595817000000
  H                                                -3.546694000000     -0.153881000000      1.710871000000
  H                                                -5.437416000000     -0.798932000000      0.188491000000
  H                                                -5.045634000000      0.562275000000     -0.849812000000
  H                                                -3.330020000000     -1.893359000000     -0.267538000000
  H                                                -3.976897000000     -1.400798000000     -1.822775000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     47 NQM=       47 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          90          35          35           1           1           1           1           1           1           1
 AtmWgt=  89.9043000  34.9688527  34.9688527   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           3           3           1           1           1           1           1           1           1
 AtZEff= 192.0000000  14.2400000  14.2400000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000  -8.1650000  -8.1650000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   0.8218740   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=  40.0000000  17.0000000  17.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.503122   0.000000
     3  C    2.563350   1.420622   0.000000
     4  C    3.048848   2.568011   1.497890   0.000000
     5  C    2.525681   2.867733   2.511734   1.533730   0.000000
     6  C    1.533395   2.487856   2.839724   2.539075   1.529487
     7  C    3.723529   2.286880   1.407680   2.618316   3.879372
     8  C    3.754183   2.284064   2.286720   3.749060   4.732495
     9  C    2.638475   1.422103   2.302992   3.736974   4.273067
    10  C    3.254043   2.606285   3.758146   5.125228   5.413169
    11  C    3.420557   3.181557   4.439082   5.677945   5.688239
    12  C    3.819332   3.344081   4.298790   5.497968   5.622732
    13  C    4.977414   4.171041   4.814610   6.093803   6.500319
    14  C    5.560600   4.812535   5.210971   6.281935   6.664093
    15  C    4.923624   4.485124   4.934662   5.774640   5.880481
    16  C    3.763604   3.567327   4.357921   5.256800   5.164223
    17  C    5.977678   5.016271   5.613924   7.019089   7.600831
    18  C    7.187836   6.093782   6.413098   7.753307   8.498932
    19  C    7.740740   6.788557   7.090623   8.295740   8.915431
    20  C    6.978063   6.107264   6.304809   7.341942   7.877492
    21  Zr   3.640753   2.570824   2.611286   3.700498   4.319371
    22  Cl   4.134171   3.673756   3.261673   3.319185   3.545595
    23  Cl   5.916042   4.615371   4.110921   5.049114   6.111530
    24  H    4.761520   3.326925   3.328070   4.752896   5.801862
    25  H    4.714786   3.329375   2.220462   2.995527   4.445602
    26  H    1.093840   2.155949   3.163044   3.571332   2.848699
    27  H    1.092939   2.137300   3.375105   3.983664   3.473006
    28  H    2.160145   3.429702   3.897943   3.483143   2.165271
    29  H    2.157267   2.808706   3.040411   2.760161   2.160127
    30  H    2.733151   3.139409   2.913820   2.153636   1.091547
    31  H    3.472677   3.906194   3.428946   2.157190   1.091576
    32  H    3.663908   3.185391   2.106057   1.095587   2.162022
    33  H    3.920210   3.349429   2.142266   1.090785   2.167583
    34  H    3.255281   2.947134   4.169341   5.404849   5.547483
    35  H    4.301065   3.462213   4.399522   5.850219   6.324783
    36  H    2.872625   3.132339   4.498734   5.534742   5.258422
    37  H    4.422130   4.241858   5.495826   6.761359   6.758458
    38  H    3.334557   3.566775   4.433865   5.104980   4.703158
    39  H    5.485339   5.156503   5.444383   6.056458   6.076495
    40  H    6.448473   5.665602   6.440321   7.848834   8.298435
    41  H    5.702956   4.629533   5.206705   6.677855   7.360449
    42  H    8.027997   6.924146   7.275994   8.661163   9.442150
    43  H    7.095725   5.856633   5.944223   7.241808   8.145470
    44  H    8.716980   7.699091   7.873087   9.037988   9.745766
    45  H    8.023820   7.221090   7.701151   8.925306   9.405335
    46  H    7.135286   6.133995   6.082036   7.035335   7.726167
    47  H    7.577285   6.853052   7.073038   7.997380   8.404091
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.196798   0.000000
     8  C    4.650784   1.418135   0.000000
     9  C    3.822477   2.298799   1.414257   0.000000
    10  C    4.653831   3.754810   2.601715   1.499392   0.000000
    11  C    4.952835   4.653693   3.660483   2.510535   1.537859
    12  C    5.270173   4.413421   3.605624   2.820422   2.520001
    13  C    6.355887   4.534102   3.658181   3.394321   3.225456
    14  C    6.792054   4.995286   4.462301   4.352889   4.481372
    15  C    6.052785   5.095524   4.802515   4.428620   4.670395
    16  C    5.030667   4.752067   4.336381   3.582920   3.654592
    17  C    7.375468   5.023761   3.897631   3.899412   3.485704
    18  C    8.490695   5.617662   4.677741   5.041192   4.891186
    19  C    9.024463   6.460880   5.711372   5.953276   5.851442
    20  C    8.148146   5.863964   5.384000   5.563879   5.727655
    21  Zr   4.615218   2.539675   2.485356   2.525802   3.484588
    22  Cl   4.467400   3.826095   4.495248   4.434995   5.516803
    23  Cl   6.695898   3.252685   3.354727   4.243017   5.185291
    24  H    5.711090   2.228686   1.078675   2.222798   2.952191
    25  H    5.001762   1.077380   2.227280   3.338106   4.750174
    26  H    2.152062   4.299622   4.299207   3.162711   3.602863
    27  H    2.172404   4.355527   4.102124   2.816900   2.968781
    28  H    1.091848   5.267367   5.663788   4.716906   5.349019
    29  H    1.094945   4.249019   4.695990   3.971914   4.799604
    30  H    2.150132   4.230283   5.018390   4.509067   5.576955
    31  H    2.164529   4.723972   5.687357   5.297955   6.438882
    32  H    2.930918   2.933275   4.100368   4.220124   5.600662
    33  H    3.467534   2.919077   4.198090   4.403923   5.836360
    34  H    4.537524   4.327852   3.289913   2.139889   1.094089
    35  H    5.653775   4.052949   2.692605   2.118170   1.089777
    36  H    4.369960   5.023211   4.244313   2.918919   2.164255
    37  H    5.947887   5.604748   4.481185   3.436089   2.170088
    38  H    4.486531   5.121720   4.860510   3.924661   4.023592
    39  H    6.436249   5.697719   5.617223   5.303087   5.668589
    40  H    7.920892   5.956143   4.753018   4.533716   3.775080
    41  H    7.059913   4.497415   3.225096   3.342579   2.924225
    42  H    9.358237   6.398465   5.361156   5.756397   5.447853
    43  H    8.277550   4.995717   4.207939   4.854634   5.004722
    44  H    9.950466   7.140510   6.469472   6.865265   6.839761
    45  H    9.386454   7.187557   6.336418   6.370820   6.035811
    46  H    8.171810   5.524278   5.244148   5.663104   6.078604
    47  H    8.716633   6.762171   6.360331   6.436061   6.562383
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.501085   0.000000
    13  C    2.616083   1.421669   0.000000
    14  C    3.764275   2.303911   1.423400   0.000000
    15  C    3.753521   2.299843   2.287672   1.405689   0.000000
    16  C    2.596669   1.415805   2.283985   2.284899   1.417069
    17  C    3.266336   2.635656   1.502153   2.566061   3.723317
    18  C    4.751189   3.893303   2.511021   2.858994   4.247738
    19  C    5.365324   4.219267   2.852488   2.489184   3.825718
    20  C    5.132795   3.737756   2.568934   1.497772   2.618795
    21  Zr   3.482168   2.517388   2.568071   2.633821   2.561300
    22  Cl   5.289197   4.302687   4.605803   4.064963   3.248422
    23  Cl   5.431110   4.375363   3.593216   3.294699   3.913938
    24  H    4.048814   3.973865   3.691868   4.576210   5.206497
    25  H    5.655640   5.292689   5.212324   5.516886   5.705514
    26  H    3.285976   3.445037   4.697132   5.103296   4.258236
    27  H    3.195313   4.005643   5.241930   6.031371   5.496963
    28  H    5.441208   5.814593   7.013815   7.405223   6.527019
    29  H    5.385338   5.880734   6.909685   7.482960   6.886288
    30  H    5.574480   5.292123   6.167996   6.141543   5.201158
    31  H    6.745111   6.706373   7.582209   7.697268   6.871348
    32  H    6.365953   6.342836   6.911023   7.204759   6.794813
    33  H    6.283813   5.858045   6.285814   6.246209   5.728912
    34  H    2.168471   3.441510   4.281167   5.531594   5.612300
    35  H    2.169472   2.938729   3.193217   4.561184   5.058294
    36  H    1.090324   2.114526   3.463419   4.391659   4.035936
    37  H    1.093784   2.141109   2.947577   4.166322   4.324760
    38  H    2.940499   2.223553   3.326694   3.326253   2.228003
    39  H    4.747217   3.339227   3.330026   2.217952   1.077308
    40  H    3.325185   2.955890   2.118818   3.174247   4.221275
    41  H    3.190240   2.951068   2.157389   3.372364   4.403677
    42  H    5.398093   4.742782   3.434196   3.902419   5.285199
    43  H    5.109998   4.224625   2.889793   3.110908   4.439854
    44  H    6.435845   5.286537   3.905499   3.426206   4.712255
    45  H    5.341115   4.289660   3.074159   2.834360   4.028333
    46  H    5.700473   4.311665   3.165506   2.136498   3.092514
    47  H    5.783327   4.347997   3.366928   2.125679   2.811918
                   16         17         18         19         20
    16  C    0.000000
    17  C    3.752718   0.000000
    18  C    4.726503   1.533543   0.000000
    19  C    4.665722   2.535707   1.529768   0.000000
    20  C    3.749027   3.050703   2.529328   1.533831   0.000000
    21  Zr   2.483753   3.637052   4.260562   4.628976   3.716406
    22  Cl   3.425928   5.890864   6.329330   6.271044   4.943058
    23  Cl   4.517067   3.985073   3.706991   4.070193   3.362762
    24  H    4.892694   3.514821   4.119871   5.338951   5.277395
    25  H    5.572180   5.596755   5.936343   6.761214   6.165784
    26  H    3.062257   5.883369   7.078062   7.427198   6.555520
    27  H    4.205078   6.087319   7.427885   8.078740   7.479634
    28  H    5.442834   8.105896   9.276408   9.721920   8.803991
    29  H    5.849628   7.766484   8.894494   9.580385   8.813019
    30  H    4.586201   7.409112   8.259009   8.494778   7.341416
    31  H    6.196038   8.681815   9.550140   9.951461   8.873848
    32  H    6.241614   7.696599   8.423965   9.092224   8.229068
    33  H    5.467708   7.252339   7.800565   8.213880   7.152940
    34  H    4.466843   4.487776   5.913788   6.905039   6.806963
    35  H    4.254330   2.963618   4.310114   5.462299   5.608355
    36  H    2.674497   4.307873   5.761332   6.246704   5.843438
    37  H    3.291490   3.251983   4.769073   5.381516   5.403030
    38  H    1.078704   4.759413   5.796917   5.725611   4.752923
    39  H    2.226414   4.714678   5.045975   4.393668   2.995562
    40  H    4.122461   1.096856   2.163278   2.910857   3.642179
    41  H    4.213656   1.091219   2.162244   3.467740   3.947131
    42  H    5.693005   2.155991   1.091818   2.166444   3.476641
    43  H    4.973783   2.155689   1.091895   2.148732   2.733445
    44  H    5.672055   3.478879   2.163060   1.091500   2.159866
    45  H    4.753729   2.752319   2.156095   1.095354   2.163356
    46  H    4.263182   3.592842   2.868967   2.157402   1.092006
    47  H    4.090775   3.967479   3.473394   2.173756   1.092104
                   21         22         23         24         25
    21  Zr   0.000000
    22  Cl   2.434175   0.000000
    23  Cl   2.434888   3.726614   0.000000
    24  H    3.097961   5.282052   3.318428   0.000000
    25  H    3.176830   4.164790   3.116985   2.680823   0.000000
    26  H    3.536503   3.749846   5.940292   5.269470   5.268502
    27  H    4.361514   5.158335   6.619989   5.001884   5.391122
    28  H    5.433556   5.054936   7.614856   6.715863   6.074812
    29  H    5.193346   5.294296   7.109122   5.706647   5.000952
    30  H    4.032108   2.813714   5.902981   6.070831   4.801967
    31  H    5.347794   4.312617   6.991573   6.742431   5.147051
    32  H    4.581018   4.372984   5.697806   5.031725   3.130677
    33  H    3.745235   2.871054   4.721071   5.115747   2.992040
    34  H    4.417963   6.254212   6.181849   3.679216   5.336813
    35  H    3.888597   6.152057   5.126626   2.616913   4.918264
    36  H    3.894036   5.271906   6.099787   4.821970   6.072856
    37  H    4.409439   6.276517   6.143107   4.672848   6.575699
    38  H    3.100664   3.452280   5.326160   5.567357   5.991104
    39  H    3.204187   3.093448   4.316052   6.071507   6.208223
    40  H    4.528659   6.711580   5.066013   4.386017   6.600748
    41  H    3.679462   6.084452   4.033888   2.690090   5.078957
    42  H    5.272598   7.402869   4.612236   4.650963   6.683318
    43  H    3.938908   5.968929   2.874346   3.587566   5.153040
    44  H    5.441750   6.947569   4.443025   6.009906   7.303708
    45  H    5.230328   6.851494   5.044491   6.002080   7.598996
    46  H    3.608093   4.659434   2.625347   5.121046   5.647117
    47  H    4.468490   5.281111   4.237949   6.326863   7.067566
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.750248   0.000000
    28  H    2.418828   2.540541   0.000000
    29  H    3.045814   2.441739   1.756970   0.000000
    30  H    2.621920   3.766062   2.514697   3.056005   0.000000
    31  H    3.792993   4.309400   2.460857   2.526242   1.754782
    32  H    4.378257   4.429995   3.860191   2.738233   3.038868
    33  H    4.238846   4.926916   4.303173   3.803755   2.393245
    34  H    3.767432   2.639865   5.139822   4.512308   5.847564
    35  H    4.657115   4.030689   6.400215   5.724236   6.504674
    36  H    2.593963   2.537163   4.679367   4.881826   5.115117
    37  H    4.261165   4.042567   6.365486   6.335686   6.636818
    38  H    2.416378   3.790462   4.716458   5.403025   4.048548
    39  H    4.726134   6.164411   6.831965   7.349103   5.257492
    40  H    6.295404   6.408256   8.563203   8.316719   8.089616
    41  H    5.808504   5.736932   7.859927   7.306237   7.326488
    42  H    7.974560   8.171474  10.153314   9.692786   9.257907
    43  H    7.082535   7.437172   9.142138   8.630475   7.962768
    44  H    8.422444   9.095112  10.678371  10.492730   9.320775
    45  H    7.630440   8.263137  10.001039   9.975823   8.946786
    46  H    6.797953   7.742724   8.900155   8.799906   7.222990
    47  H    7.023718   8.103187   9.282265   9.467500   7.752950
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.390736   0.000000
    33  H    2.579482   1.754906   0.000000
    34  H    6.493415   5.742438   6.255351   0.000000
    35  H    7.348823   6.261956   6.490727   1.747437   0.000000
    36  H    6.263520   6.241115   6.209046   2.395498   3.044137
    37  H    7.804590   7.420608   7.369525   2.596950   2.404619
    38  H    5.673419   6.105454   5.381308   4.635470   4.812965
    39  H    6.978105   7.120337   5.856114   6.578024   6.105429
    40  H    9.388680   8.532019   8.154032   4.645512   3.215812
    41  H    8.424469   7.228733   7.007284   3.865898   2.181072
    42  H   10.495551   9.266659   8.749873   6.389751   4.699339
    43  H    9.157119   7.852131   7.210290   6.039727   4.446592
    44  H   10.755655   9.807749   8.867026   7.896259   6.389018
    45  H   10.460972   9.754677   8.916548   7.033259   5.658557
    46  H    8.672399   7.879608   6.719338   7.169472   5.956499
    47  H    9.368374   8.943917   7.749374   7.617065   6.521117
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.749441   0.000000
    38  H    2.590324   3.678298   0.000000
    39  H    4.897814   5.333004   2.680495   0.000000
    40  H    4.340961   2.948835   5.059496   5.213937   0.000000
    41  H    4.268889   3.248980   5.134564   5.424609   1.746393
    42  H    6.452022   5.245083   6.750440   6.090565   2.401079
    43  H    6.097998   5.320984   6.025294   5.171411   3.046154
    44  H    7.327568   6.448187   6.723546   5.134580   3.843190
    45  H    6.184335   5.166878   5.766222   4.609906   2.705512
    46  H    6.406727   6.107137   5.226920   3.315774   4.378320
    47  H    6.381422   6.006375   4.985744   2.860351   4.380098
                   41         42         43         44         45
    41  H    0.000000
    42  H    2.550217   0.000000
    43  H    2.408315   1.757790   0.000000
    44  H    4.299007   2.460372   2.511685   0.000000
    45  H    3.788609   2.520447   3.052343   1.756260   0.000000
    46  H    4.295778   3.811855   2.643262   2.418026   3.051641
    47  H    4.935969   4.311812   3.771807   2.557450   2.437727
                   46         47
    46  H    0.000000
    47  H    1.754944   0.000000
 Stoichiometry    C20H24Cl2Zr
 Framework group  C1[X(C20H24Cl2Zr)]
 Deg. of freedom   135
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3766532           0.1923391           0.1731426
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37     38     39     40     41     42     43
 Centers:      44     45     46     47
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     13     14     15     16     17     18     19     20
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      22     23
 S 5 1.00
     Exponent=  1.0449827566D+04 Coefficients=  1.9708362484D-03
     Exponent=  1.5717365221D+03 Coefficients=  1.4754727977D-02
     Exponent=  3.5712065523D+02 Coefficients=  6.6679112875D-02
     Exponent=  1.0025185935D+02 Coefficients=  1.7228924084D-01
     Exponent=  3.0812727554D+01 Coefficients=  1.5883786100D-01
 S 3 1.00
     Exponent=  5.1923789434D+01 Coefficients= -1.0009298909D-01
     Exponent=  5.7045760975D+00 Coefficients=  6.0841752753D-01
     Exponent=  2.3508376809D+00 Coefficients=  5.4352153355D-01
 S 1 1.00
     Exponent=  4.4605124672D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.6848856190D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.5344229413D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  3.0766790569D+02 Coefficients= -8.7801484118D-03
     Exponent=  7.2102015515D+01 Coefficients= -6.3563355471D-02
     Exponent=  2.2532680262D+01 Coefficients= -2.4016428276D-01
     Exponent=  7.8991765444D+00 Coefficients= -4.7798866557D-01
     Exponent=  2.8767268321D+00 Coefficients= -3.8515850005D-01
 P 1 1.00
     Exponent=  7.7459363955D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.1037699698D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.0046271086D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2284803390D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      21
 S 3 1.00
     Exponent=  5.8737890000D+00 Coefficients=  5.4255558714D-01
     Exponent=  4.2872700000D+00 Coefficients= -9.5241333244D-01
     Exponent=  1.4641370000D+00 Coefficients= -1.3703926411D-01
 S 1 1.00
     Exponent=  8.3727682345D-01 Coefficients=  8.8521584390D-01
 S 1 1.00
     Exponent=  3.6849806511D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.7806859124D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.0273088330D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  2.8742240000D+00 Coefficients= -4.6624086918D-01
     Exponent=  2.1199010000D+00 Coefficients=  4.5883133891D-01
     Exponent=  7.8845821105D-01 Coefficients=  5.8853912475D-01
     Exponent=  3.6332579847D-01 Coefficients=  3.5822232244D-01
 P 1 1.00
     Exponent=  1.4951762021D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.7000000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.0000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  4.2898623878D+00 Coefficients= -1.2212868080D-02
     Exponent=  1.3615557498D+00 Coefficients=  1.9692423520D-01
     Exponent=  5.6937550689D-01 Coefficients=  4.2057831659D-01
     Exponent=  2.2674948677D-01 Coefficients=  4.2757027999D-01
 D 1 1.00
     Exponent=  8.3011031631D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.9261000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          6
                                   No pseudopotential on this center.
    4          6
                                   No pseudopotential on this center.
    5          6
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          6
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          6
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          6
                                   No pseudopotential on this center.
   16          6
                                   No pseudopotential on this center.
   17          6
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          6
                                   No pseudopotential on this center.
   20          6
                                   No pseudopotential on this center.
   21         40           12
                                      F and up 
                                                     2        7.5400000      -21.09377605    0.00000000
                                                     2        3.7700000       -3.08069427    0.00000000
                                      S - F
                                                     2        8.2000000      150.26759106    0.00000000
                                                     2        4.0897278       18.97621650    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
                                      P - F
                                                     2        7.1100000       99.62212372    0.00000000
                                                     2        3.5967980       14.16873329    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
                                      D - F
                                                     2        5.3500000       35.04512355    0.00000000
                                                     2        2.4918215        6.11125948    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
   22         17
                                   No pseudopotential on this center.
   23         17
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          1
                                   No pseudopotential on this center.
   39          1
                                   No pseudopotential on this center.
   40          1
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          1
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          1
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   729 symmetry adapted cartesian basis functions of A   symmetry.
 There are   680 symmetry adapted basis functions of A   symmetry.
   680 basis functions,  1042 primitive gaussians,   729 cartesian basis functions
    95 alpha electrons       95 beta electrons
       nuclear repulsion energy      2554.1761945610 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   47 NActive=   47 NUniq=   47 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.1359214468 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2554.0402731142 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:              10.9 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   40584 LenP2D=   89806.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   680 RedAO= T EigKep=  6.62D-06  NBF=   680
 NBsUse=   680 1.00D-06 EigRej= -1.00D+00 NBFU=   680
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  40.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   728   728   728   728   728 MxSgAt=    47 MxSgA2=    47.
 Leave Link  302 at Fri Jul 16 13:10:09 2021, MaxMem=  5637144576 cpu:              24.1 elap:               3.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:10 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:13 2021, MaxMem=  5637144576 cpu:              22.3 elap:               3.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636068137 LenY=  5635535967
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 930000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 E= -1743.66153688383    
 DIIS: error= 2.27D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1743.66153688383     IErMin= 1 ErrMin= 2.27D-03
 ErrMax= 2.27D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-02 BMatP= 1.67D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.27D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.165 Goal=   None    Shift=    0.000
 GapD=    0.165 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.21D-02 MaxDP=1.00D+00              OVMax= 1.37D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.06D-02    CP:  1.24D+00
 E= -1743.67435279151     Delta-E=       -0.012815907685 Rises=F Damp=F
 DIIS: error= 2.91D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1743.67435279151     IErMin= 2 ErrMin= 2.91D-04
 ErrMax= 2.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-04 BMatP= 1.67D-02
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.91D-03
 Coeff-Com:  0.308D-01 0.969D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.307D-01 0.969D+00
 Gap=     0.168 Goal=   None    Shift=    0.000
 RMSDP=5.55D-04 MaxDP=4.94D-02 DE=-1.28D-02 OVMax= 1.13D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.13D-04    CP:  1.26D+00  1.03D+00
 E= -1743.67397805767     Delta-E=        0.000374733843 Rises=F Damp=F
 DIIS: error= 4.08D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1743.67435279151     IErMin= 2 ErrMin= 2.91D-04
 ErrMax= 4.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-04 BMatP= 4.10D-04
 IDIUse=3 WtCom= 3.31D-01 WtEn= 6.69D-01
 Coeff-Com: -0.621D-02 0.584D+00 0.422D+00
 Coeff-En:   0.000D+00 0.633D+00 0.367D+00
 Coeff:     -0.206D-02 0.617D+00 0.385D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=2.11D-04 MaxDP=9.34D-03 DE= 3.75D-04 OVMax= 7.85D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.36D-04    CP:  1.26D+00  1.04D+00  5.02D-01
 E= -1743.67472740365     Delta-E=       -0.000749345980 Rises=F Damp=F
 DIIS: error= 2.21D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1743.67472740365     IErMin= 4 ErrMin= 2.21D-04
 ErrMax= 2.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.18D-05 BMatP= 4.10D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.21D-03
 Coeff-Com: -0.778D-02 0.336D+00 0.271D+00 0.401D+00
 Coeff-En:   0.000D+00 0.000D+00 0.343D-01 0.966D+00
 Coeff:     -0.776D-02 0.335D+00 0.270D+00 0.403D+00
 Gap=     0.166 Goal=   None    Shift=    0.000
 RMSDP=8.67D-05 MaxDP=4.61D-03 DE=-7.49D-04 OVMax= 2.42D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.68D-05    CP:  1.26D+00  1.03D+00  5.48D-01  5.55D-01
 E= -1743.67481904709     Delta-E=       -0.000091643439 Rises=F Damp=F
 DIIS: error= 2.62D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1743.67481904709     IErMin= 5 ErrMin= 2.62D-05
 ErrMax= 2.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-06 BMatP= 8.18D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.234D-02 0.699D-01 0.566D-01 0.160D+00 0.715D+00
 Coeff:     -0.234D-02 0.699D-01 0.566D-01 0.160D+00 0.715D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=2.25D-05 MaxDP=1.20D-03 DE=-9.16D-05 OVMax= 3.46D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.33D-05    CP:  1.26D+00  1.03D+00  5.38D-01  6.11D-01  7.48D-01
 E= -1743.67482066060     Delta-E=       -0.000001613508 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1743.67482066060     IErMin= 6 ErrMin= 1.01D-05
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-07 BMatP= 1.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.617D-03 0.980D-02 0.693D-02 0.533D-01 0.372D+00 0.558D+00
 Coeff:     -0.617D-03 0.980D-02 0.693D-02 0.533D-01 0.372D+00 0.558D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=6.03D-06 MaxDP=2.82D-04 DE=-1.61D-06 OVMax= 1.53D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.79D-06    CP:  1.26D+00  1.03D+00  5.40D-01  6.17D-01  7.96D-01
                    CP:  7.04D-01
 E= -1743.67482088755     Delta-E=       -0.000000226950 Rises=F Damp=F
 DIIS: error= 3.58D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1743.67482088755     IErMin= 7 ErrMin= 3.58D-06
 ErrMax= 3.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.96D-08 BMatP= 2.52D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D-03-0.140D-02-0.188D-02 0.152D-01 0.151D+00 0.338D+00
 Coeff-Com:  0.499D+00
 Coeff:     -0.132D-03-0.140D-02-0.188D-02 0.152D-01 0.151D+00 0.338D+00
 Coeff:      0.499D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=1.89D-06 MaxDP=1.04D-04 DE=-2.27D-07 OVMax= 5.74D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.06D-06    CP:  1.26D+00  1.03D+00  5.41D-01  6.15D-01  7.98D-01
                    CP:  7.23D-01  6.17D-01
 E= -1743.67482092883     Delta-E=       -0.000000041281 Rises=F Damp=F
 DIIS: error= 6.24D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1743.67482092883     IErMin= 8 ErrMin= 6.24D-07
 ErrMax= 6.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-09 BMatP= 3.96D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.229D-04-0.114D-02-0.113D-02 0.305D-02 0.431D-01 0.112D+00
 Coeff-Com:  0.218D+00 0.626D+00
 Coeff:     -0.229D-04-0.114D-02-0.113D-02 0.305D-02 0.431D-01 0.112D+00
 Coeff:      0.218D+00 0.626D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=4.13D-07 MaxDP=1.78D-05 DE=-4.13D-08 OVMax= 6.95D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.26D-07    CP:  1.26D+00  1.03D+00  5.41D-01  6.16D-01  8.00D-01
                    CP:  7.22D-01  6.36D-01  7.95D-01
 E= -1743.67482092999     Delta-E=       -0.000000001166 Rises=F Damp=F
 DIIS: error= 1.78D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1743.67482092999     IErMin= 9 ErrMin= 1.78D-07
 ErrMax= 1.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-10 BMatP= 1.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.702D-07-0.414D-03-0.358D-03 0.938D-04 0.789D-02 0.245D-01
 Coeff-Com:  0.608D-01 0.294D+00 0.614D+00
 Coeff:     -0.702D-07-0.414D-03-0.358D-03 0.938D-04 0.789D-02 0.245D-01
 Coeff:      0.608D-01 0.294D+00 0.614D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=1.40D-07 MaxDP=7.38D-06 DE=-1.17D-09 OVMax= 2.82D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.48D-08    CP:  1.26D+00  1.03D+00  5.41D-01  6.16D-01  8.00D-01
                    CP:  7.24D-01  6.37D-01  8.15D-01  7.18D-01
 E= -1743.67482092988     Delta-E=        0.000000000110 Rises=F Damp=F
 DIIS: error= 1.20D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1743.67482092999     IErMin=10 ErrMin= 1.20D-07
 ErrMax= 1.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-11 BMatP= 1.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-05-0.161D-03-0.127D-03-0.189D-03 0.145D-02 0.640D-02
 Coeff-Com:  0.199D-01 0.130D+00 0.382D+00 0.460D+00
 Coeff:      0.174D-05-0.161D-03-0.127D-03-0.189D-03 0.145D-02 0.640D-02
 Coeff:      0.199D-01 0.130D+00 0.382D+00 0.460D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=5.12D-08 MaxDP=2.94D-06 DE= 1.10D-10 OVMax= 1.74D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.54D-08    CP:  1.26D+00  1.03D+00  5.41D-01  6.16D-01  8.00D-01
                    CP:  7.23D-01  6.38D-01  8.13D-01  7.51D-01  5.59D-01
 E= -1743.67482093048     Delta-E=       -0.000000000600 Rises=F Damp=F
 DIIS: error= 2.71D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1743.67482093048     IErMin=11 ErrMin= 2.71D-08
 ErrMax= 2.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-12 BMatP= 2.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-05-0.457D-04-0.319D-04-0.120D-03-0.731D-04 0.850D-03
 Coeff-Com:  0.402D-02 0.404D-01 0.147D+00 0.271D+00 0.537D+00
 Coeff:      0.104D-05-0.457D-04-0.319D-04-0.120D-03-0.731D-04 0.850D-03
 Coeff:      0.402D-02 0.404D-01 0.147D+00 0.271D+00 0.537D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=1.47D-08 MaxDP=7.05D-07 DE=-6.00D-10 OVMax= 3.25D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.72D-09    CP:  1.26D+00  1.03D+00  5.41D-01  6.16D-01  8.00D-01
                    CP:  7.24D-01  6.38D-01  8.16D-01  7.39D-01  6.11D-01
                    CP:  7.30D-01
 E= -1743.67482093004     Delta-E=        0.000000000446 Rises=F Damp=F
 DIIS: error= 4.54D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -1743.67482093048     IErMin=12 ErrMin= 4.54D-09
 ErrMax= 4.54D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.96D-14 BMatP= 1.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.298D-06-0.430D-05-0.124D-05-0.358D-04-0.183D-03-0.236D-03
 Coeff-Com: -0.279D-03 0.556D-02 0.287D-01 0.807D-01 0.238D+00 0.648D+00
 Coeff:      0.298D-06-0.430D-05-0.124D-05-0.358D-04-0.183D-03-0.236D-03
 Coeff:     -0.279D-03 0.556D-02 0.287D-01 0.807D-01 0.238D+00 0.648D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=3.58D-09 MaxDP=2.06D-07 DE= 4.46D-10 OVMax= 7.66D-08

 SCF Done:  E(RB3LYP) =  -1743.67482093     A.U. after   12 cycles
            NFock= 12  Conv=0.36D-08     -V/T= 2.0257
 KE= 1.700027866711D+03 PE=-9.181945390168D+03 EE= 3.184202429412D+03
 Leave Link  502 at Fri Jul 16 13:44:33 2021, MaxMem=  5637144576 cpu:           16412.4 elap:            2058.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   680
 NBasis=   680 NAE=    95 NBE=    95 NFC=     0 NFV=     0
 NROrb=    680 NOA=    95 NOB=    95 NVA=   585 NVB=   585

 **** Warning!!: The largest alpha MO coefficient is  0.55131747D+02

 Leave Link  801 at Fri Jul 16 13:44:34 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  40.
        14455 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          47
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.26D-13 8.33D-09 XBig12= 1.00D+00 3.36D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.26D-13 8.33D-09 XBig12= 4.93D-01 9.50D-02.
     11 vectors produced by pass  2 Test12= 9.26D-13 8.33D-09 XBig12= 2.20D-01 1.02D-01.
     11 vectors produced by pass  3 Test12= 9.26D-13 8.33D-09 XBig12= 3.70D-02 5.57D-02.
     11 vectors produced by pass  4 Test12= 9.26D-13 8.33D-09 XBig12= 7.25D-03 2.54D-02.
     11 vectors produced by pass  5 Test12= 9.26D-13 8.33D-09 XBig12= 1.02D-03 8.45D-03.
     11 vectors produced by pass  6 Test12= 9.26D-13 8.33D-09 XBig12= 2.13D-04 4.23D-03.
     11 vectors produced by pass  7 Test12= 9.26D-13 8.33D-09 XBig12= 2.87D-05 1.06D-03.
     11 vectors produced by pass  8 Test12= 9.26D-13 8.33D-09 XBig12= 2.30D-06 3.20D-04.
     11 vectors produced by pass  9 Test12= 9.26D-13 8.33D-09 XBig12= 1.17D-07 8.69D-05.
     11 vectors produced by pass 10 Test12= 9.26D-13 8.33D-09 XBig12= 4.27D-09 1.00D-05.
     11 vectors produced by pass 11 Test12= 9.26D-13 8.33D-09 XBig12= 1.59D-10 1.86D-06.
     11 vectors produced by pass 12 Test12= 9.26D-13 8.33D-09 XBig12= 5.82D-12 3.73D-07.
      7 vectors produced by pass 13 Test12= 9.26D-13 8.33D-09 XBig12= 1.38D-13 6.99D-08.
      1 vectors produced by pass 14 Test12= 9.26D-13 8.33D-09 XBig12= 5.75D-15 9.13D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   151 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.340007D+03
      2 -0.481727D+00  0.271235D+03
      3 -0.412455D+01  0.419476D+00  0.251632D+03
 Isotropic polarizability for W=    0.085645      287.62 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.486723D+01 -0.947007D+02 -0.836309D+01
      2   0.867151D+01  0.187531D+03 -0.212262D+00
      3  -0.380428D+01 -0.928302D+02  0.857535D+01
      4   0.196261D+02  0.155671D+02 -0.286120D+02
      5  -0.138804D+02 -0.239463D+02 -0.885909D+01
      6  -0.334735D+01 -0.111998D+02 -0.708732D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.365017D+01 -0.101799D+01 -0.534923D+02
      2  -0.370046D+00 -0.158863D+02 -0.181500D+01
      3   0.848028D+02 -0.431480D+01  0.180067D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.466569D+01 -0.109875D+02 -0.921215D+02
      2   0.551728D+01 -0.252646D+02 -0.505482D+01
      3   0.114327D+03 -0.689555D+01  0.205989D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.222661D+01 -0.336770D+00 -0.505197D+01
      2  -0.336770D+00  0.862114D+00  0.386552D-01
      3  -0.505197D+01  0.386552D-01 -0.461852D+01
 OR G Eigenvalues:    -7.3000     0.8395     4.9307  Iso=     0.5099
 Eigenvectors:
   (1)   0.468866   0.015163   0.883139
   (2)   0.061253   0.996887  -0.049636
   (3)   0.881143  -0.077367  -0.466478
 w=    0.085645 a.u., Optical Rotation Beta=      0.5099 au.
 Molar Mass =    426.5356 grams/mole, [Alpha] ( 5320.0 A) =       56.70 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  231540 ScalPx= 8.38D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  231540 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.96D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.54D-13 2.78D-09 XBig12= 1.00D+00 4.84D-01.
     30 vectors produced by pass  1 Test12= 1.54D-13 2.78D-09 XBig12= 1.00D+00 3.19D-01.
     30 vectors produced by pass  2 Test12= 1.54D-13 2.78D-09 XBig12= 7.32D-03 2.01D-02.
     30 vectors produced by pass  3 Test12= 1.54D-13 2.78D-09 XBig12= 4.28D-04 4.09D-03.
     30 vectors produced by pass  4 Test12= 1.54D-13 2.78D-09 XBig12= 1.96D-05 6.23D-04.
     30 vectors produced by pass  5 Test12= 1.54D-13 2.78D-09 XBig12= 7.51D-07 1.49D-04.
     30 vectors produced by pass  6 Test12= 1.54D-13 2.78D-09 XBig12= 1.17D-08 1.98D-05.
     30 vectors produced by pass  7 Test12= 1.54D-13 2.78D-09 XBig12= 1.54D-10 1.60D-06.
     30 vectors produced by pass  8 Test12= 1.54D-13 2.78D-09 XBig12= 1.81D-12 1.24D-07.
      9 vectors produced by pass  9 Test12= 1.54D-13 2.78D-09 XBig12= 1.38D-14 9.76D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   279 with    30 vectors.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  231540 ScalPx= 4.27D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  231540 ScalPx= 4.27D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  231540 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.94D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.340007D+03 -0.481727D+00 -0.412455D+01
      2  -0.481727D+00  0.271235D+03  0.419476D+00
      3  -0.412455D+01  0.419476D+00  0.251632D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.365017D+01 -0.101799D+01 -0.534923D+02
      2  -0.370046D+00 -0.158863D+02 -0.181500D+01
      3   0.848028D+02 -0.431480D+01  0.180067D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.486723D+01 -0.947007D+02 -0.836309D+01
      2   0.867151D+01  0.187531D+03 -0.212262D+00
      3  -0.380428D+01 -0.928302D+02  0.857535D+01
      4   0.196261D+02  0.155671D+02 -0.286120D+02
      5  -0.138804D+02 -0.239463D+02 -0.885909D+01
      6  -0.334735D+01 -0.111998D+02 -0.708732D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.505532D+01  0.577457D+00  0.108293D+01  0.397323D+00 -0.203379D+01
      2   0.577457D+00 -0.690770D+00  0.118093D+00 -0.203379D+01 -0.651431D+01
      3   0.108293D+01  0.118093D+00  0.135960D+01  0.680151D+00  0.855881D+00
                 6             7             8             9            10 
      1   0.680151D+00  0.474164D+01  0.144584D+01 -0.713161D+00  0.126017D+02
      2   0.855881D+00  0.144584D+01  0.116473D+01 -0.810766D+00  0.402627D+01
      3   0.545860D+00 -0.713161D+00 -0.810766D+00  0.424439D+01 -0.947625D+00
                11            12            13            14            15 
      1   0.402627D+01 -0.947625D+00  0.113630D+02  0.419310D+01 -0.368738D+01
      2   0.546115D+01 -0.195304D+01  0.419310D+01  0.685721D+00 -0.106195D+00
      3  -0.195304D+01  0.137210D+01 -0.368738D+01 -0.106195D+00  0.254451D+01
                16            17            18            19            20 
      1  -0.708696D+01  0.232320D-01  0.335600D+01  0.148191D+02 -0.330947D+01
      2   0.232320D-01 -0.326348D+01  0.153688D+01 -0.330947D+01  0.286505D+01
      3   0.335600D+01  0.153688D+01 -0.210021D+01  0.543309D+01 -0.140127D+01
                21            22            23            24            25 
      1   0.543309D+01 -0.114791D+02  0.451585D+00  0.374054D+01  0.412580D+01
      2  -0.140127D+01  0.451585D+00 -0.101160D+01 -0.571422D-01  0.290159D+01
      3   0.308906D+01  0.374054D+01 -0.571422D-01 -0.108874D+01 -0.243607D+01
                26            27            28            29            30 
      1   0.290159D+01 -0.243607D+01 -0.807841D+01  0.114811D+01 -0.382373D+01
      2  -0.260252D+01 -0.195056D+00  0.114811D+01  0.411997D+00  0.117144D+01
      3  -0.195056D+00  0.445827D+00 -0.382373D+01  0.117144D+01 -0.334160D+01
                31            32            33            34            35 
      1   0.291750D+01 -0.182981D+01  0.638466D+00 -0.598001D+01  0.135591D+01
      2  -0.182981D+01  0.547239D+01 -0.547728D+00  0.135591D+01  0.755029D+00
      3   0.638466D+00 -0.547728D+00 -0.312014D+00 -0.540026D+01 -0.348810D+00
                36            37            38            39            40 
      1  -0.540026D+01 -0.710632D+01  0.480253D+01  0.106978D+01  0.576034D+01
      2  -0.348810D+00  0.480253D+01 -0.930666D+00 -0.202733D+00 -0.103292D+01
      3  -0.200182D+01  0.106978D+01 -0.202733D+00  0.267651D+01 -0.724757D-01
                41            42            43            44            45 
      1  -0.103292D+01 -0.724757D-01  0.189027D+00 -0.262390D-01  0.345479D+01
      2  -0.181595D+01  0.859877D+00 -0.262390D-01  0.751643D+00  0.190178D+01
      3   0.859877D+00  0.185491D+01  0.345479D+01  0.190178D+01  0.655387D+00
                46            47            48            49            50 
      1   0.184292D+01 -0.345877D+01  0.531840D+00 -0.640539D+01 -0.128821D+01
      2  -0.345877D+01 -0.630942D+00  0.335951D+00 -0.128821D+01  0.211767D+01
      3   0.531840D+00  0.335951D+00 -0.367736D+01  0.554166D+00 -0.453433D+00
                51            52            53            54            55 
      1   0.554166D+00  0.240797D+01  0.487611D+00 -0.658733D+01  0.397574D+01
      2  -0.453433D+00  0.487611D+00 -0.419243D+00 -0.317312D+01  0.184063D+01
      3  -0.261700D+01 -0.658733D+01 -0.317312D+01  0.941312D+00  0.215350D+00
                56            57            58            59            60 
      1   0.184063D+01  0.215350D+00 -0.169860D+01 -0.388218D+00  0.201988D+01
      2  -0.268198D+01  0.339305D+00 -0.388218D+00  0.126281D+01 -0.321421D+00
      3   0.339305D+00  0.456450D+01  0.201988D+01 -0.321421D+00 -0.105430D+01
                61            62            63            64            65 
      1   0.487740D+01 -0.196472D+01  0.680966D+01 -0.179783D+01 -0.124312D+01
      2  -0.196472D+01  0.987724D+00  0.869323D+00 -0.124312D+01  0.483571D-02
      3   0.680966D+01  0.869323D+00  0.677417D+01  0.166105D+01  0.195909D+01
                66            67            68            69            70 
      1   0.166105D+01  0.198546D+01  0.102295D+01 -0.821262D-01 -0.103515D+01
      2   0.195909D+01  0.102295D+01 -0.143591D+01  0.141446D+01 -0.956426D+00
      3   0.723986D+00 -0.821262D-01  0.141446D+01  0.401110D+01  0.187342D+01
                71            72            73            74            75 
      1  -0.956426D+00  0.187342D+01 -0.762084D+01  0.126544D+01  0.597374D-01
      2   0.451497D+01  0.298112D+01  0.126544D+01 -0.174384D+01  0.350048D+01
      3   0.298112D+01  0.855224D+01  0.597374D-01  0.350048D+01  0.326814D+00
                76            77            78            79            80 
      1   0.125757D+01  0.117697D+00 -0.175107D+00  0.224014D+00  0.252327D+01
      2   0.117697D+00  0.133900D+02  0.153745D+01  0.252327D+01  0.116657D+01
      3  -0.175107D+00  0.153745D+01  0.190190D+01 -0.870137D+00  0.818574D+00
                81            82            83            84            85 
      1  -0.870137D+00  0.650946D+00 -0.291105D+01 -0.194953D+01 -0.105182D+01
      2   0.818574D+00 -0.291105D+01 -0.474743D+01 -0.843120D+00 -0.295218D+01
      3  -0.328573D+01 -0.194953D+01 -0.843120D+00  0.161842D+01  0.397870D+00
                86            87            88            89            90 
      1  -0.295218D+01  0.397870D+00 -0.138582D+01 -0.154470D+00  0.232384D+01
      2  -0.914402D+01 -0.142006D+01 -0.154470D+00  0.152649D+01 -0.121776D+01
      3  -0.142006D+01  0.221089D-01  0.232384D+01 -0.121776D+01  0.224847D+00
                91            92            93            94            95 
      1  -0.879041D+00 -0.280082D+01  0.194173D+01 -0.751042D+00  0.272422D+01
      2  -0.280082D+01  0.463447D+01 -0.100848D+01  0.272422D+01 -0.901015D+01
      3   0.194173D+01 -0.100848D+01 -0.159012D+01  0.258310D+00  0.161870D+01
                96            97            98            99           100 
      1   0.258310D+00  0.105631D+01 -0.396275D+00 -0.231749D+01  0.909713D+01
      2   0.161870D+01 -0.396275D+00 -0.143007D+01 -0.126062D+01  0.791529D+00
      3   0.244105D-01 -0.231749D+01 -0.126062D+01 -0.260222D+00 -0.144215D+00
               101           102           103           104           105 
      1   0.791529D+00 -0.144215D+00  0.486801D+00  0.607036D+00 -0.229121D+00
      2   0.206604D+01  0.297067D+01  0.607036D+00  0.129527D+02 -0.149325D+01
      3   0.297067D+01 -0.484628D+00 -0.229121D+00 -0.149325D+01  0.170597D+01
               106           107           108           109           110 
      1   0.436165D+00  0.259662D+01  0.116837D+01 -0.122077D+02  0.467980D+01
      2   0.259662D+01 -0.117045D+01  0.123433D+01  0.467980D+01 -0.644234D+01
      3   0.116837D+01  0.123433D+01  0.336801D+01  0.231174D+00 -0.160717D+01
               111           112           113           114           115 
      1   0.231174D+00  0.109738D+02 -0.508675D+01 -0.258463D+01  0.820555D+01
      2  -0.160717D+01 -0.508675D+01  0.106375D+01  0.335045D+00 -0.279739D+00
      3  -0.487461D+00 -0.258463D+01  0.335045D+00  0.223833D+01 -0.332858D+01
               116           117           118           119           120 
      1  -0.279739D+00 -0.332858D+01 -0.160600D+02 -0.327052D+01 -0.559931D+01
      2   0.339202D+01  0.135170D+01 -0.327052D+01 -0.296714D+01 -0.127204D+01
      3   0.135170D+01  0.164099D+01 -0.559931D+01 -0.127204D+01 -0.353697D+01
               121           122           123           124           125 
      1  -0.973039D+01 -0.226216D+00  0.369626D+01 -0.450585D+01  0.287650D+01
      2  -0.226216D+00 -0.726335D+00 -0.145298D+00  0.287650D+01  0.232021D+01
      3   0.369626D+01 -0.145298D+00 -0.114426D+01  0.185056D+01 -0.322594D+00
               126           127           128           129           130 
      1   0.185056D+01 -0.283895D+01  0.252329D+01  0.868211D+00 -0.838618D+00
      2  -0.322594D+00  0.252329D+01  0.288517D+01  0.556246D+00  0.643202D+00
      3  -0.120842D+01  0.868211D+00  0.556246D+00 -0.423833D+01  0.195932D+01
               131           132           133           134           135 
      1   0.643202D+00  0.195932D+01 -0.543225D+01 -0.196148D+01 -0.648939D+01
      2   0.100746D+01  0.442105D+00 -0.196148D+01 -0.665436D+00  0.886798D+00
      3   0.442105D+00 -0.823421D+00 -0.648939D+01  0.886798D+00 -0.709054D+01
               136           137           138           139           140 
      1   0.883886D+00 -0.107196D+01 -0.150619D+01  0.202706D+01 -0.149452D+01
      2  -0.107196D+01  0.237248D+00  0.176114D+01 -0.149452D+01 -0.148511D+01
      3  -0.150619D+01  0.176114D+01 -0.570834D+00 -0.526835D+00 -0.186116D+01
               141           142           143           144           145 
      1  -0.526835D+00  0.573931D+00 -0.134153D+01 -0.171420D+01  0.528230D+01
      2  -0.186116D+01 -0.134153D+01 -0.446516D+01  0.274352D+01 -0.299458D+01
      3   0.378926D+01 -0.171420D+01  0.274352D+01 -0.872077D+01 -0.918940D+00
               146           147           148           149           150 
      1  -0.299458D+01 -0.918940D+00 -0.740140D+01  0.732710D+01 -0.217966D+00
      2   0.363216D+01 -0.132484D+01  0.732710D+01 -0.602643D+01 -0.668287D+00
      3  -0.132484D+01 -0.105495D+01 -0.217966D+00 -0.668287D+00 -0.162482D+01
               151           152           153           154           155 
      1  -0.238499D+01 -0.232653D+01 -0.104986D+00  0.102073D+01 -0.252661D+01
      2  -0.232653D+01 -0.248657D+00 -0.235030D+01 -0.252661D+01 -0.403332D+00
      3  -0.104986D+00 -0.235030D+01 -0.178410D+01 -0.260680D+01  0.336525D+01
               156           157           158           159           160 
      1  -0.260680D+01 -0.383227D+01 -0.338002D+00  0.428967D+01 -0.302781D+01
      2   0.336525D+01 -0.338002D+00  0.679686D+00 -0.158677D+01  0.408994D+01
      3   0.176817D+01  0.428967D+01 -0.158677D+01  0.493454D+00  0.198602D+01
               161           162           163           164           165 
      1   0.408994D+01  0.198602D+01  0.524392D+01  0.299585D+01  0.657880D+00
      2  -0.164216D+01  0.892660D+00  0.299585D+01  0.154229D+01 -0.286787D+01
      3   0.892660D+00 -0.162717D+01  0.657880D+00 -0.286787D+01 -0.366984D+00
               166           167           168           169           170 
      1   0.526403D+01  0.280636D+01 -0.432499D+01  0.726926D+00 -0.435334D+01
      2   0.280636D+01 -0.410667D+00  0.891302D+00 -0.435334D+01  0.709634D+00
      3  -0.432499D+01  0.891302D+00 -0.169791D+01  0.546873D+00 -0.190638D+01
               171           172           173           174           175 
      1   0.546873D+00  0.440799D+01  0.718751D+00  0.786571D+00  0.425212D+01
      2  -0.190638D+01  0.718751D+00  0.662675D+00  0.242147D+01  0.289822D+01
      3   0.652127D+00  0.786571D+00  0.242147D+01  0.203290D+01  0.309358D+01
               176           177           178           179           180 
      1   0.289822D+01  0.309358D+01 -0.629983D+00  0.213439D+01  0.317611D+01
      2   0.350348D+01 -0.210833D+00  0.213439D+01 -0.874946D+00  0.299780D+01
      3  -0.210833D+00  0.246538D+01  0.317611D+01  0.299780D+01  0.278968D+01
               181           182           183           184           185 
      1  -0.223122D-01 -0.597567D+01  0.108485D+00  0.161952D+01 -0.251557D+00
      2  -0.597567D+01 -0.313325D+00 -0.337594D+01 -0.251557D+00 -0.850713D+01
      3   0.108485D+00 -0.337594D+01 -0.443636D-01 -0.335024D+01  0.351238D+00
               186           187           188           189           190 
      1  -0.335024D+01  0.104772D+00 -0.496025D+01  0.226767D+00  0.912179D+01
      2   0.351238D+00 -0.496025D+01  0.141368D+00 -0.424288D+01 -0.184846D+01
      3  -0.727079D+00  0.226767D+00 -0.424288D+01  0.207067D+00 -0.609081D+00
               191           192           193           194           195 
      1  -0.184846D+01 -0.609081D+00 -0.497121D+01  0.176049D+01  0.891302D-02
      2   0.775877D+00  0.850271D+00  0.176049D+01 -0.111663D+02 -0.288067D+01
      3   0.850271D+00  0.157796D+01  0.891302D-02 -0.288067D+01 -0.313288D+01
               196           197           198           199           200 
      1  -0.355155D+01  0.111823D+01  0.843148D+00 -0.989663D+01 -0.116441D+01
      2   0.111823D+01 -0.196739D+01 -0.347199D+01 -0.116441D+01 -0.103131D+01
      3   0.843148D+00 -0.347199D+01 -0.711800D+01  0.687310D+00  0.741499D+00
               201           202           203           204           205 
      1   0.687310D+00 -0.382079D+01 -0.208569D+01  0.300196D+00  0.381824D+01
      2   0.741499D+00 -0.208569D+01 -0.101203D+02  0.310207D+01  0.994219D+00
      3  -0.185709D+01  0.300196D+00  0.310207D+01 -0.297522D+01 -0.119016D+01
               206           207           208           209           210 
      1   0.994219D+00 -0.119016D+01 -0.201589D+01  0.103761D+01  0.245137D+01
      2   0.232146D+01 -0.325333D+01  0.103761D+01 -0.735197D+00 -0.141210D+01
      3  -0.325333D+01  0.811761D+01  0.245137D+01 -0.141210D+01 -0.418887D+01
               211           212           213           214           215 
      1   0.898229D+00 -0.483823D+00 -0.645896D+00  0.225566D+01 -0.332174D+00
      2  -0.483823D+00  0.691154D+00  0.459692D+00 -0.332174D+00  0.705168D+00
      3  -0.645896D+00  0.459692D+00 -0.136088D+00 -0.237371D+01  0.227812D+00
               216           217           218           219           220 
      1  -0.237371D+01  0.428399D+00 -0.362854D+00 -0.161138D-01 -0.100761D+01
      2   0.227812D+00 -0.362854D+00  0.331419D+00 -0.232488D-01  0.946650D+00
      3   0.387317D+01 -0.161138D-01 -0.232488D-01 -0.928303D+00 -0.128368D+01
               221           222           223           224           225 
      1   0.946650D+00 -0.128368D+01  0.575753D+00 -0.227581D+00 -0.271995D-01
      2  -0.331970D+01  0.346553D+01 -0.227581D+00  0.222068D+01 -0.264525D+01
      3   0.346553D+01 -0.448755D+01 -0.271995D-01 -0.264525D+01  0.420536D+01
               226           227           228           229           230 
      1  -0.885855D+00 -0.546229D+00 -0.776799D+00 -0.172609D+01 -0.868358D-01
      2  -0.546229D+00 -0.436924D+00  0.211299D+00 -0.868358D-01  0.822392D+00
      3  -0.776799D+00  0.211299D+00 -0.986654D+00  0.445607D-01 -0.681938D+00
               231           232           233           234           235 
      1   0.445607D-01 -0.415260D+01 -0.775911D+00  0.129955D+01  0.120713D+00
      2  -0.681938D+00 -0.775911D+00 -0.124489D+01  0.134215D+01  0.882921D+00
      3  -0.561334D+00  0.129955D+01  0.134215D+01 -0.578652D+01  0.193022D+00
               236           237           238           239           240 
      1   0.882921D+00  0.193022D+00  0.317252D+01  0.211068D+01 -0.759427D+00
      2   0.764423D+00 -0.706671D-01  0.211068D+01  0.885248D+01 -0.126177D+01
      3  -0.706671D-01 -0.323594D+00 -0.759427D+00 -0.126177D+01  0.788201D+00
               241           242           243           244           245 
      1   0.102248D+00 -0.734377D-01  0.166083D+00  0.592680D+01  0.210502D+01
      2  -0.734377D-01  0.307632D-01  0.964185D+00  0.210502D+01  0.125446D+01
      3   0.166083D+00  0.964185D+00 -0.456951D+00 -0.339345D+01 -0.107334D+01
               246           247           248           249           250 
      1  -0.339345D+01  0.260657D+01  0.189574D+01 -0.122212D+01 -0.613139D+01
      2  -0.107334D+01  0.189574D+01  0.119412D+01 -0.138383D+01 -0.187203D+01
      3   0.249935D+01 -0.122212D+01 -0.138383D+01  0.138085D+01  0.505899D+01
               251           252           253           254           255 
      1  -0.187203D+01  0.505899D+01  0.419515D+01  0.200034D+01  0.180915D+01
      2  -0.169415D+01  0.225326D+01  0.200034D+01  0.123495D+01  0.648853D+00
      3   0.225326D+01 -0.484751D+01  0.180915D+01  0.648853D+00  0.149416D+01
               256           257           258           259           260 
      1   0.298444D+01  0.187673D+01  0.760161D+00  0.430367D+01  0.157628D+01
      2   0.187673D+01  0.154940D+01  0.109000D+01  0.157628D+01  0.188283D+01
      3   0.760161D+00  0.109000D+01  0.113538D+01  0.296041D+01  0.171117D+01
               261           262           263           264           265 
      1   0.296041D+01 -0.228414D+01 -0.139946D+01 -0.960619D+00 -0.199236D+01
      2   0.171117D+01 -0.139946D+01 -0.441770D+00 -0.184959D+00 -0.920352D-01
      3   0.290048D+01 -0.960619D+00 -0.184959D+00 -0.116565D+01  0.104809D-01
               266           267           268           269           270 
      1  -0.920352D-01  0.104809D-01 -0.171658D+01 -0.169891D+00 -0.232584D+00
      2  -0.839127D+00 -0.933796D+00 -0.169891D+00 -0.165600D+01 -0.151305D+01
      3  -0.933796D+00 -0.114492D+01 -0.232584D+00 -0.151305D+01 -0.360244D+01
               271           272           273           274           275 
      1   0.131849D+02 -0.420742D+01 -0.159955D+01 -0.416884D+01  0.296079D+01
      2  -0.420742D+01  0.235310D+01  0.342928D+00  0.296079D+01 -0.182308D+01
      3  -0.159955D+01  0.342928D+00  0.724979D+00  0.573979D+00 -0.391966D+00
               276           277           278           279           280 
      1   0.573979D+00 -0.499755D+00  0.291197D+00  0.124280D+01  0.890706D+01
      2  -0.391966D+00  0.291197D+00 -0.168927D+00 -0.779880D+00 -0.140528D+01
      3  -0.584878D+00  0.124280D+01 -0.779880D+00 -0.344849D+00  0.396462D+01
               281           282           283           284           285 
      1  -0.140528D+01  0.396462D+01  0.238728D+00  0.143189D+01 -0.502331D-01
      2   0.734397D+00 -0.855236D+00  0.143189D+01 -0.943919D+00  0.813180D+00
      3  -0.855236D+00  0.304355D+01 -0.502331D-01  0.813180D+00  0.319942D+00
               286           287           288           289           290 
      1   0.771079D+01 -0.195997D+01  0.505032D+01 -0.195031D+00 -0.110504D+01
      2  -0.195997D+01  0.112206D+01 -0.110188D+01 -0.110504D+01 -0.448446D+00
      3   0.505032D+01 -0.110188D+01  0.514440D+01  0.338578D-01  0.150061D+00
               291           292           293           294           295 
      1   0.338578D-01 -0.345506D+01  0.222285D+01 -0.217982D+00  0.493297D+00
      2   0.150061D+00  0.222285D+01 -0.752091D+01  0.974399D+00 -0.325371D+00
      3   0.536584D-01 -0.217982D+00  0.974399D+00 -0.914973D+00  0.848078D+00
               296           297           298           299           300 
      1  -0.325371D+00  0.848078D+00  0.270532D+01  0.331183D+01  0.991138D+00
      2   0.217873D+00 -0.705973D+00  0.331183D+01  0.663003D+01  0.120281D+01
      3  -0.705973D+00  0.504522D+00  0.991138D+00  0.120281D+01  0.639818D+00
               301           302           303           304           305 
      1   0.243813D+01  0.308150D+01  0.763001D+00  0.549647D+00  0.691236D+00
      2   0.308150D+01  0.114929D+02  0.169692D+01  0.691236D+00  0.733999D+00
      3   0.763001D+00  0.169692D+01  0.115687D+01  0.479023D+00  0.182269D+01
               306           307           308           309           310 
      1   0.479023D+00 -0.306804D+01  0.135467D+01  0.151527D+01  0.470968D+00
      2   0.182269D+01  0.135467D+01 -0.139448D+01 -0.103435D+01 -0.726883D+00
      3   0.741461D+00  0.151527D+01 -0.103435D+01 -0.172366D+01 -0.482431D+00
               311           312           313           314           315 
      1  -0.726883D+00 -0.482431D+00  0.168734D+01 -0.996540D+00 -0.154353D+01
      2   0.182183D+01  0.119485D+01 -0.996540D+00  0.223116D+01  0.152053D+01
      3   0.119485D+01  0.840702D+00 -0.154353D+01  0.152053D+01  0.268409D+01
               316           317           318           319           320 
      1   0.300207D+01  0.137238D+01 -0.155264D+01  0.492648D+00  0.634613D+00
      2   0.137238D+01  0.129627D+01 -0.102722D+01  0.634613D+00  0.165497D+01
      3  -0.155264D+01 -0.102722D+01  0.181951D+01 -0.441736D+00 -0.112630D+01
               321           322           323           324           325 
      1  -0.441736D+00 -0.161437D+01 -0.102582D+01  0.155103D+01 -0.248485D+01
      2  -0.112630D+01 -0.102582D+01 -0.210584D+01  0.147591D+01  0.311130D+01
      3   0.754478D+00  0.155103D+01  0.147591D+01 -0.271286D+01 -0.101343D+01
               326           327           328           329           330 
      1   0.311130D+01 -0.101343D+01  0.228721D+01 -0.287075D+01  0.795265D+00
      2  -0.652702D+01  0.132050D+01 -0.287075D+01  0.114400D+02 -0.186763D+01
      3   0.132050D+01 -0.662006D+00  0.795265D+00 -0.186763D+01  0.122754D+01
               331           332           333           334           335 
      1  -0.579181D+00  0.741460D+00 -0.460795D+00  0.253780D+01  0.103545D+01
      2   0.741460D+00 -0.938810D+00  0.186048D+01  0.103545D+01  0.671058D+00
      3  -0.460795D+00  0.186048D+01 -0.811005D+00 -0.257336D+01 -0.128001D+01
               336           337           338           339           340 
      1  -0.257336D+01  0.885613D+00  0.495256D+00 -0.497571D+00 -0.230412D+01
      2  -0.128001D+01  0.495256D+00  0.637885D+00 -0.404282D+00 -0.309076D+00
      3   0.414208D+01 -0.497571D+00 -0.404282D+00 -0.362764D+00  0.234922D+01
               341           342           343           344           345 
      1  -0.309076D+00  0.234922D+01 -0.321991D+00 -0.434417D+00 -0.129838D+00
      2  -0.678256D+00  0.810244D-01 -0.434417D+00 -0.343845D+00 -0.255379D-01
      3   0.810244D-01 -0.358200D+01 -0.129838D+00 -0.255379D-01  0.967069D+00
               346           347           348           349           350 
      1  -0.103191D+01 -0.836210D+00 -0.117483D+01 -0.510067D+00 -0.196935D+00
      2  -0.836210D+00 -0.331704D+01 -0.343923D+01 -0.196935D+00 -0.228067D+01
      3  -0.117483D+01 -0.343923D+01 -0.451521D+01  0.858554D-01 -0.265999D+01
               351           352           353           354           355 
      1   0.858554D-01 -0.542857D+01  0.313239D+01  0.127990D+00  0.620236D+01
      2  -0.265999D+01  0.313239D+01 -0.331992D+01  0.316111D+00 -0.557947D+01
      3  -0.399883D+01  0.127990D+00  0.316111D+00 -0.241789D+00 -0.574683D+00
               356           357           358           359           360 
      1  -0.557947D+01 -0.574683D+00 -0.232733D+01  0.188974D+01 -0.505294D+00
      2   0.807500D+01 -0.678086D-02  0.188974D+01 -0.211935D+01  0.125971D+01
      3  -0.678086D-02  0.103266D+01 -0.505294D+00  0.125971D+01 -0.589891D+00
               361           362           363           364           365 
      1   0.246252D+01  0.635476D+00  0.717654D+00  0.193199D+01 -0.574246D+00
      2   0.635476D+00  0.650693D+00  0.831436D+00 -0.574246D+00  0.242609D+01
      3   0.717654D+00  0.831436D+00  0.106662D+01 -0.933553D-01  0.142625D+01
               366           367           368           369           370 
      1  -0.933553D-01  0.226556D+01  0.566192D+00 -0.157801D+00 -0.792147D+01
      2   0.142625D+01  0.566192D+00  0.179751D+01  0.240898D+01  0.255714D+01
      3   0.128795D+01 -0.157801D+00  0.240898D+01  0.382898D+01  0.393866D+01
               371           372           373           374           375 
      1   0.255714D+01  0.393866D+01  0.385635D+01 -0.229414D+01 -0.229808D+01
      2  -0.143729D+01 -0.175289D+01 -0.229414D+01  0.203350D+01  0.181009D+01
      3  -0.175289D+01 -0.287000D+01 -0.229808D+01  0.181009D+01  0.169590D+01
               376           377           378           379           380 
      1   0.389787D+01 -0.162350D+01 -0.364688D+01  0.246958D+01 -0.100328D+01
      2  -0.162350D+01  0.120063D+01  0.146042D+01 -0.100328D+01  0.791100D+00
      3  -0.364688D+01  0.146042D+01  0.358503D+01  0.858671D+00 -0.484418D+00
               381           382           383           384           385 
      1   0.858671D+00 -0.195929D+01  0.643891D+00 -0.550862D+00  0.163760D+01
      2  -0.484418D+00  0.643891D+00 -0.187398D+01  0.122428D+01 -0.513521D+00
      3   0.494963D+00 -0.550862D+00  0.122428D+01 -0.181108D+01 -0.292109D+00
               386           387           388           389           390 
      1  -0.513521D+00 -0.292109D+00 -0.108906D+02 -0.372329D+01  0.125919D+01
      2   0.125984D+01 -0.120654D+01 -0.372329D+01 -0.201128D+01  0.588919D+00
      3  -0.120654D+01  0.316709D+01  0.125919D+01  0.588919D+00 -0.833705D+00
               391           392           393           394           395 
      1  -0.620743D+01 -0.347655D+01  0.112239D+01  0.306782D+01  0.148313D+01
      2  -0.347655D+01 -0.259555D+01  0.324424D+00  0.148313D+01  0.584218D+00
      3   0.112239D+01  0.324424D+00 -0.477549D+00 -0.176845D+01 -0.470793D+00
               396           397           398           399           400 
      1  -0.176845D+01 -0.463099D+01  0.134460D+01 -0.187455D+01  0.324343D+01
      2  -0.470793D+00  0.134460D+01 -0.105374D+01  0.815856D+00 -0.244591D+01
      3   0.808145D+00 -0.187455D+01  0.815856D+00 -0.112165D+01  0.193632D+01
               401           402           403           404           405 
      1  -0.244591D+01  0.193632D+01 -0.376779D+01  0.165468D+01 -0.230565D+01
      2   0.246256D+01 -0.141204D+01  0.165468D+01 -0.133396D+01  0.142363D+01
      3  -0.141204D+01  0.188495D+01 -0.230565D+01  0.142363D+01 -0.285697D+01
               406           407           408           409           410 
      1   0.306840D+00 -0.107458D+01  0.112833D+01 -0.407459D+01 -0.223453D+01
      2  -0.107458D+01 -0.692583D-01 -0.366569D-01 -0.223453D+01 -0.512767D+01
      3   0.112833D+01 -0.366569D-01  0.158536D+00 -0.511572D+00  0.652744D+00
               411           412           413           414           415 
      1  -0.511572D+00  0.359408D+01  0.153306D+00 -0.334471D+00 -0.350452D+01
      2   0.652744D+00  0.153306D+00  0.155576D+01 -0.119260D+01 -0.141347D+01
      3  -0.998710D+00 -0.334471D+00 -0.119260D+01  0.548369D+00 -0.232832D+01
               416           417           418           419           420 
      1  -0.141347D+01 -0.232832D+01 -0.240996D+01 -0.214331D+01 -0.158815D+01
      2  -0.108865D+01 -0.140254D+01 -0.214331D+01 -0.255475D+01 -0.187870D+01
      3  -0.140254D+01 -0.191772D+01 -0.158815D+01 -0.187870D+01 -0.190995D+01
               421           422           423 
      1  -0.500551D+01 -0.247180D+01 -0.390670D+01
      2  -0.247180D+01 -0.232398D+01 -0.319688D+01
      3  -0.390670D+01 -0.319688D+01 -0.581793D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.775796D+01 -0.640964D-01 -0.362600D+01  0.327380D+01  0.704170D+01
      2   0.386314D+01  0.316911D+01  0.108110D+02  0.101470D+02  0.561067D+01
      3  -0.164314D+02  0.301456D+01  0.282053D+01  0.146644D+02  0.209056D+02
                 6             7             8             9            10 
      1  -0.527915D+01  0.407909D+01  0.789452D+01 -0.135240D+02 -0.298042D+01
      2   0.372651D+01 -0.163085D+02 -0.603951D+01  0.271084D+02 -0.264848D+02
      3  -0.233606D+01  0.486330D+01  0.200158D+01 -0.174273D+00  0.197443D+02
                11            12            13            14            15 
      1   0.157032D+02 -0.150442D+01  0.352356D+02 -0.598522D+01 -0.559449D+01
      2  -0.156831D+02  0.190178D+01 -0.452562D+02 -0.809137D+01  0.191652D+02
      3  -0.121138D+02  0.678222D+01  0.118740D+01  0.125426D+02 -0.134879D+02
                16            17            18            19            20 
      1   0.156571D+01 -0.112590D+02  0.118638D+02 -0.110311D+02  0.132212D+02
      2   0.111004D+02  0.295835D+01 -0.205906D+02 -0.292454D+02  0.192061D+01
      3  -0.874268D+01  0.855836D+01  0.279434D+01  0.181973D+02 -0.125446D+02
                21            22            23            24            25 
      1  -0.117697D+02 -0.786886D+01 -0.165278D+01 -0.286803D+01  0.135330D+02
      2  -0.654470D+01  0.386293D+02 -0.104539D+02 -0.198516D+02 -0.414113D+02
      3   0.986407D+01 -0.204456D+01  0.154905D+01  0.166653D+02  0.934735D+00
                26            27            28            29            30 
      1  -0.576605D+01  0.757916D+00 -0.259946D+00  0.192736D+01 -0.229003D+01
      2  -0.844974D+01  0.821174D+01  0.106571D+01  0.406040D+00 -0.540931D+01
      3   0.159643D+02 -0.978167D+01  0.256438D+01 -0.534270D+01 -0.902606D-01
                31            32            33            34            35 
      1   0.765816D+00  0.105886D+02 -0.607922D+01 -0.894873D+01  0.126047D+01
      2  -0.579645D+01  0.510281D+01 -0.483555D+01 -0.172045D+02 -0.309669D+01
      3   0.142708D+02 -0.286673D+02 -0.805648D+00  0.120598D+01 -0.615974D+01
                36            37            38            39            40 
      1   0.276531D+00 -0.414208D+01  0.561138D+00  0.236770D+01  0.528211D+00
      2   0.358339D+00 -0.222956D+01  0.314475D+01  0.179772D+02  0.285804D+01
      3   0.825405D+01 -0.213960D+02 -0.239906D+01  0.159796D+00  0.865035D+00
                41            42            43            44            45 
      1   0.240177D+01 -0.167571D+01  0.311069D+01  0.315371D+01 -0.210945D+01
      2   0.525604D+01  0.104732D+02  0.188957D+02  0.110602D+02  0.514396D+01
      3   0.140874D+02 -0.567589D+01 -0.230331D+01 -0.473853D+01 -0.123095D+02
                46            47            48            49            50 
      1   0.527183D+01 -0.214197D+00  0.366246D+01 -0.267971D+01 -0.345610D+01
      2   0.529188D+01 -0.107774D+01 -0.188255D+02 -0.403057D+00 -0.402319D+01
      3   0.253084D+02 -0.364326D+01 -0.230946D+01 -0.193270D+01 -0.152603D+02
                51            52            53            54            55 
      1   0.256880D+01  0.750812D+01  0.728887D+01  0.106645D+01  0.262772D+01
      2  -0.126885D+02 -0.397569D+02 -0.165475D+02  0.843227D+00 -0.161727D+02
      3   0.510532D+01  0.221716D+00  0.303531D+01  0.817479D+01  0.241613D+02
                56            57            58            59            60 
      1  -0.115603D+02  0.618483D+01 -0.113403D+02 -0.471806D+01 -0.342190D+01
      2  -0.361614D+01  0.170459D+02  0.216324D+02  0.500654D+01 -0.677009D+01
      3   0.738311D+01 -0.643150D+01  0.970170D+00  0.377595D+01  0.597838D+01
                61            62            63            64            65 
      1  -0.186783D+02  0.100337D+02 -0.107656D+02 -0.621099D+01 -0.843781D+01
      2   0.129734D+02  0.604704D+01  0.728919D+01  0.250639D+02  0.854728D+01
      3   0.503257D+01 -0.734100D+01  0.133040D+02 -0.206881D+02 -0.323018D+00
                66            67            68            69            70 
      1   0.120138D+00  0.280241D+01 -0.147938D+02  0.809551D+01 -0.741999D+01
      2   0.555584D+01 -0.846484D+01  0.719572D+01  0.473859D+01  0.430603D+01
      3  -0.140384D+01  0.745812D+01  0.954494D+01 -0.169364D+02 -0.225687D+01
                71            72            73            74            75 
      1   0.938931D+01 -0.125773D+02  0.317104D+02 -0.157017D+02  0.103159D+02
      2   0.948343D+01  0.164187D+02  0.856140D+01 -0.214709D+01  0.464749D+01
      3  -0.712087D+01  0.201817D+00 -0.356593D+02  0.392696D+01 -0.945756D+01
                76            77            78            79            80 
      1   0.948091D+01  0.458842D+02  0.479618D+01  0.120537D+02  0.647616D+01
      2  -0.820141D+01  0.699311D+01  0.651220D+01  0.165195D+00  0.655695D+01
      3  -0.427361D+01 -0.378927D+02 -0.722449D+01 -0.122365D+02  0.488387D+01
                81            82            83            84            85 
      1   0.233586D+02  0.391398D+01  0.362596D+00 -0.116649D+02 -0.104545D+02
      2  -0.969378D+01 -0.294835D+01  0.373044D+01  0.564697D+01  0.174702D+01
      3  -0.191178D+02  0.698989D+01 -0.174890D+02 -0.768352D+01  0.152244D+01
                86            87            88            89            90 
      1  -0.163241D+02 -0.672555D+01 -0.144577D+02  0.825938D+01 -0.876970D+01
      2  -0.919688D+00  0.133223D+01  0.151782D+01  0.225871D+01 -0.315218D+01
      3  -0.557486D+00  0.551484D+01 -0.783707D+01 -0.567075D+00  0.135708D+02
                91            92            93            94            95 
      1  -0.328593D+01  0.125344D+01  0.117434D+02 -0.968515D+01  0.154818D+02
      2  -0.203800D+01 -0.411504D+01  0.532185D+01 -0.870057D-01 -0.186769D+01
      3  -0.725592D+01 -0.179154D+02  0.789613D+01  0.160602D+01  0.153724D+01
                96            97            98            99           100 
      1  -0.704038D+01  0.150116D+02  0.845384D+01  0.930969D+01 -0.316478D+02
      2  -0.108282D+01  0.685343D+00 -0.279761D+01 -0.315374D+01  0.180708D+02
      3   0.489360D+01  0.665956D+01 -0.110132D+01 -0.134081D+02  0.386362D+02
               101           102           103           104           105 
      1  -0.131208D+02 -0.971270D+01  0.731016D+01 -0.448948D+02  0.607634D+01
      2   0.409739D+01  0.441915D+01  0.497608D+01  0.887941D+01 -0.580824D+01
      3   0.207851D+01  0.758305D+01 -0.428960D+01  0.378788D+02 -0.718754D+01
               106           107           108           109           110 
      1  -0.124890D+02  0.336192D+01 -0.258744D+02  0.787139D+01  0.144412D+02
      2   0.118035D+00 -0.718657D+01 -0.632771D+01 -0.287103D+02  0.133552D+02
      3   0.139936D+02  0.611256D+01  0.211565D+02 -0.196097D+02 -0.134792D+02
               111           112           113           114           115 
      1  -0.998707D+00  0.367594D+02  0.291690D+01 -0.478797D+01 -0.462090D+01
      2  -0.294966D+01  0.358101D+02 -0.133709D+02 -0.178341D+02  0.981617D+01
      3  -0.661282D+01 -0.327620D+01 -0.141924D+02 -0.909526D+01  0.445329D+01
               116           117           118           119           120 
      1  -0.108600D+02 -0.124590D+02  0.144554D+02  0.139226D+02  0.103929D+02
      2  -0.205679D+01 -0.201842D+02 -0.328152D+02 -0.619082D+01 -0.674626D+01
      3   0.867853D+01 -0.251542D+01 -0.168546D+02 -0.142478D+02 -0.803540D+01
               121           122           123           124           125 
      1  -0.101919D+02  0.262965D+01 -0.271843D+01 -0.158315D+02 -0.586811D+01
      2  -0.346250D+02 -0.670424D+01  0.238554D+02 -0.379865D+02  0.956299D+01
      3   0.255215D+01  0.183441D+01  0.150243D+02  0.359700D+01  0.155308D+02
               126           127           128           129           130 
      1   0.127802D+01 -0.817717D+01 -0.132433D+02 -0.560292D+01 -0.129517D+02
      2   0.120370D+02 -0.189605D+02  0.551861D+01  0.212462D+02 -0.187166D+02
      3   0.871406D+01 -0.180994D+02  0.900666D+01  0.684214D+01  0.317837D+01
               131           132           133           134           135 
      1   0.398963D+01 -0.409787D+01  0.220291D+02  0.923443D+01  0.114917D+02
      2   0.516229D+01  0.713673D+01  0.936270D+01 -0.707592D+01  0.678338D+01
      3  -0.299108D+01  0.473662D+01 -0.853207D+01 -0.680915D+01 -0.124435D+02
               136           137           138           139           140 
      1   0.566156D+01 -0.770151D+01  0.774432D+00  0.689630D+01  0.171591D+02
      2   0.247627D+02 -0.769471D+01  0.541726D+01  0.989530D+01  0.563508D+01
      3   0.186374D+02 -0.526788D+00  0.878893D+00  0.417555D+01 -0.124472D+02
               141           142           143           144           145 
      1   0.906102D+01  0.874766D+01  0.115195D+02  0.139046D+02  0.458747D+01
      2  -0.962638D+01  0.438611D+01 -0.977706D+01  0.164670D+02  0.656839D+01
      3  -0.166459D+02  0.159336D+01 -0.724598D+01 -0.147936D+01  0.232311D+01
               146           147           148           149           150 
      1   0.492919D+01  0.255951D+01  0.479215D+01  0.707165D+00  0.134771D+00
      2   0.425870D+01  0.939247D+01 -0.104454D+02  0.488028D+01  0.931255D+01
      3   0.258135D+01 -0.109941D+02  0.140385D+02 -0.624001D+01 -0.242665D+01
               151           152           153           154           155 
      1  -0.427692D+01  0.110416D+02  0.678535D+01 -0.422970D+01 -0.281864D+01
      2  -0.746416D+01  0.182466D+02  0.174443D+02  0.983171D+01 -0.134715D+02
      3  -0.120485D+02 -0.627922D+01 -0.117267D+02 -0.154952D+02 -0.645775D+01
               156           157           158           159           160 
      1   0.486259D+01 -0.568632D+01  0.159267D+01 -0.511127D+01  0.764531D+01
      2  -0.225565D+01 -0.191801D+02  0.809450D+01 -0.109123D+02 -0.763580D+01
      3   0.173807D+02 -0.549678D+01  0.500615D+01 -0.356260D+01  0.224104D+02
               161           162           163           164           165 
      1  -0.330091D+00  0.231824D+01  0.883712D+00 -0.127986D+01 -0.156241D+01
      2  -0.123869D+02  0.490155D+01 -0.298399D+01  0.182940D+02  0.448956D+01
      3  -0.410523D+01  0.768408D+01  0.180165D+02  0.625211D+01 -0.173557D+02
               166           167           168           169           170 
      1  -0.172206D+01 -0.120739D+01 -0.333050D+01 -0.378585D+01 -0.973769D-01
      2   0.296944D+02 -0.337483D+01  0.931609D+01 -0.440820D+01  0.102903D+02
      3   0.187382D+02 -0.351817D+01  0.568467D+01 -0.282800D+02  0.359052D+01
               171           172           173           174           175 
      1  -0.864721D+00 -0.219418D+01  0.285556D+01  0.622921D+00  0.191302D+01
      2  -0.277678D+01  0.712413D+01 -0.847228D+01 -0.516733D+01 -0.537160D+01
      3  -0.107053D+02  0.563568D-01  0.204727D+00  0.958793D+01  0.130067D+02
               176           177           178           179           180 
      1  -0.106749D+02  0.487865D+00  0.569350D+01  0.126626D+02  0.306234D+01
      2   0.134411D+02 -0.790471D+01 -0.209013D+02 -0.141480D+02 -0.461515D+01
      3   0.153121D+02 -0.108257D+02  0.115023D+02 -0.970940D+01  0.116169D+02
               181           182           183           184           185 
      1   0.253406D+01  0.163366D+02  0.210584D+00 -0.259369D+02 -0.141073D+01
      2   0.566004D+02  0.630890D+00  0.265466D+02  0.326883D+01 -0.648530D+01
      3  -0.199766D+01 -0.212737D+02 -0.174679D+01  0.847111D+02 -0.786482D+00
               186           187           188           189           190 
      1  -0.551243D+02 -0.241312D+01  0.242878D+02 -0.997553D+00  0.199029D+01
      2  -0.711219D+00 -0.435758D+02  0.746515D+00 -0.283223D+02  0.170142D+01
      3   0.862157D+01 -0.391256D+01 -0.223653D+02  0.220849D+01 -0.116636D+02
               191           192           193           194           195 
      1  -0.578208D+01 -0.379592D+00 -0.745029D+01  0.763091D+01 -0.777606D+01
      2  -0.220010D+00  0.550793D+01  0.974857D+00  0.158097D+01 -0.179984D+01
      3  -0.859734D+01 -0.753794D+00  0.577161D+01  0.544085D+01  0.722527D+01
               196           197           198           199           200 
      1   0.147181D+01  0.107806D+02 -0.420893D+01 -0.404130D+01 -0.661051D+01
      2  -0.759755D+01  0.613713D+00  0.253745D+01  0.313017D+01 -0.127237D+00
      3  -0.421748D+01  0.480143D+01 -0.142606D+01  0.977307D+01 -0.100691D+02
               201           202           203           204           205 
      1   0.599848D-02 -0.869684D+01 -0.624414D+01 -0.553800D+01 -0.474750D+00
      2   0.732123D+01 -0.245776D+01  0.241752D+01  0.275389D+01 -0.613723D+01
      3   0.274715D+01  0.182748D+01 -0.532574D+01  0.821823D+01  0.735309D+01
               206           207           208           209           210 
      1   0.119233D+02  0.302583D+01  0.189438D+01 -0.202082D+01  0.675833D-01
      2  -0.998937D+00  0.221020D+01  0.927259D+01 -0.494844D+01 -0.906069D+01
      3   0.629962D+01  0.259866D+00 -0.949089D+00  0.217712D+00  0.324049D+01
               211           212           213           214           215 
      1  -0.101886D+01  0.150688D+01  0.966034D+00  0.184372D+01  0.238032D+01
      2  -0.667717D+01  0.221355D+01  0.155475D+01 -0.124142D+02  0.591376D+00
      3   0.309564D+01 -0.621324D+00 -0.802287D+00  0.399375D+01  0.799177D+00
               216           217           218           219           220 
      1  -0.242951D+01 -0.911767D+00  0.209563D+01 -0.546900D+00  0.259751D+01
      2   0.941523D+01 -0.399421D+00  0.791279D+00 -0.135372D+01  0.183242D+01
      3  -0.241420D+01  0.115689D+01 -0.203540D+01 -0.406813D+00  0.858484D+00
               221           222           223           224           225 
      1  -0.838481D+01  0.601367D+01 -0.260314D+00  0.757833D+01 -0.488914D+01
      2   0.370565D+01 -0.461587D+01 -0.237826D+01 -0.510037D+01  0.751355D+01
      3   0.521391D+01 -0.608974D+01 -0.585483D+00 -0.512070D+01  0.514807D+01
               226           227           228           229           230 
      1   0.359177D+01 -0.644698D-01  0.240563D+01 -0.881145D+00  0.112842D+01
      2  -0.712634D+01  0.220054D+00 -0.638209D+01 -0.229352D+01 -0.440175D+01
      3  -0.951470D+00  0.212317D+00 -0.278127D+01 -0.236029D+01 -0.283954D+01
               231           232           233           234           235 
      1   0.187496D+01 -0.319780D+01  0.258980D+00  0.138558D+02 -0.221688D+01
      2  -0.231206D+01 -0.218190D+01  0.562808D+01 -0.267900D+02  0.316788D+01
      3   0.313111D+01 -0.504043D+01  0.101428D+01 -0.274759D+01 -0.456966D+01
               236           237           238           239           240 
      1  -0.961078D+00  0.404971D+00  0.375552D+00 -0.721966D+01 -0.300589D+01
      2   0.505651D+00 -0.665387D+00 -0.638784D+00 -0.592264D+01  0.331593D+01
      3  -0.574493D+00  0.117781D+01  0.497016D+01 -0.290406D+02  0.187770D+01
               241           242           243           244           245 
      1   0.120376D+00 -0.143262D+01  0.306474D+00  0.174143D+01 -0.861343D+00
      2  -0.205807D+00  0.355839D+01 -0.271227D+01 -0.115428D+02 -0.384834D+01
      3   0.135751D+01 -0.142497D+01 -0.327464D+01 -0.412310D+01 -0.555323D+01
               246           247           248           249           250 
      1  -0.290762D+01  0.649093D+00  0.211611D+00 -0.139831D+01 -0.532398D+01
      2   0.122040D+02 -0.393439D+01 -0.554490D+01  0.676338D+01  0.185902D+02
      3   0.158599D+01 -0.443700D+01 -0.384743D+01  0.509583D+01  0.337412D+00
               251           252           253           254           255 
      1   0.107772D+01  0.463028D+01 -0.356224D+01 -0.102918D+01 -0.259895D+01
      2   0.102849D+02 -0.220814D+02  0.102020D+02  0.420345D+01  0.100170D+02
      3   0.792915D+01 -0.495905D+01 -0.600869D+01 -0.585405D+01 -0.551721D+00
               256           257           258           259           260 
      1  -0.188193D+01 -0.176391D+01 -0.340117D+01 -0.406132D+01 -0.164598D+01
      2   0.520763D+01  0.656326D+01  0.664680D+01  0.155816D+02  0.911927D+01
      3  -0.334687D+01 -0.582072D+01 -0.499548D+01 -0.816436D+00 -0.977209D+01
               261           262           263           264           265 
      1  -0.535289D+01  0.153181D+01  0.127031D+01 -0.100961D+01  0.667049D+00
      2   0.180180D+02 -0.110216D+02 -0.389422D+01 -0.771954D+01 -0.306128D+01
      3  -0.480838D+01  0.126247D+02  0.556714D+01  0.250638D+01  0.742321D+01
               266           267           268           269           270 
      1  -0.214366D+00 -0.100914D+01  0.583565D-01  0.222433D+01 -0.265435D+01
      2  -0.622569D+01 -0.585713D+01 -0.102794D+02 -0.845193D+01 -0.200214D+02
      3   0.551997D+01  0.539464D+01  0.550117D+01  0.903013D+01  0.896127D+01
               271           272           273           274           275 
      1   0.851995D+00 -0.212423D+01  0.149668D+01 -0.102032D+01  0.767125D+00
      2  -0.943256D+00 -0.527331D+00  0.560939D+01 -0.384314D-01 -0.452162D+00
      3   0.100246D+02 -0.125105D+02 -0.438558D+00 -0.910003D+01  0.711372D+01
               276           277           278           279           280 
      1  -0.137403D+01  0.502040D+00  0.339800D+00 -0.413402D-02  0.263212D+01
      2  -0.385307D+01  0.363230D+01 -0.383268D+01 -0.126008D+01  0.141276D+01
      3   0.120244D+01 -0.674137D+00  0.348418D+00  0.344590D+01 -0.439861D+01
               281           282           283           284           285 
      1   0.346758D+00  0.409032D+01  0.134935D+01 -0.679680D-01  0.655596D+00
      2  -0.731999D+00  0.966080D+01 -0.127367D+01  0.982256D+00  0.200836D+01
      3  -0.371455D+01 -0.153025D+01 -0.582152D+01  0.316161D+01 -0.329122D+01
               286           287           288           289           290 
      1   0.392825D+01  0.241006D+01  0.509894D+01 -0.284430D+01 -0.212784D+01
      2   0.751830D+01 -0.101900D+01  0.146281D+02  0.133031D+01 -0.751097D-01
      3  -0.411202D+00 -0.364276D+01 -0.118468D+01  0.745865D+01  0.539440D+01
               291           292           293           294           295 
      1  -0.391644D+00  0.165332D+01 -0.862621D+01 -0.364912D+01 -0.881938D+00
      2  -0.336489D+00  0.320819D+01 -0.175057D+01 -0.391443D+01 -0.949689D+00
      3   0.154537D+01 -0.478303D+00  0.338862D+02 -0.271102D+01  0.317636D+01
               296           297           298           299           300 
      1  -0.762250D-01 -0.249131D+01 -0.609312D+00  0.494855D+01 -0.300314D+01
      2  -0.298875D+01 -0.133677D+01 -0.274685D+01 -0.150949D+01  0.635236D+00
      3   0.152345D+01  0.417748D+01  0.113921D+02  0.635658D+01  0.387339D+01
               301           302           303           304           305 
      1  -0.183745D+01  0.714113D+01 -0.668108D+01 -0.207769D+01 -0.506519D+01
      2  -0.201045D+01 -0.244665D+00  0.534096D+00 -0.155441D+01  0.434464D+00
      3   0.117980D+02  0.527723D+01  0.369553D+01  0.271029D+01  0.173703D+01
               306           307           308           309           310 
      1  -0.563993D+00 -0.482141D+01  0.162613D+01  0.758835D+01  0.140242D+01
      2   0.984700D+00  0.790922D+01 -0.119200D+01 -0.204377D+01  0.718441D+00
      3   0.969168D+00 -0.169834D+02  0.370310D+01  0.674659D+01  0.269632D+01
               311           312           313           314           315 
      1  -0.406513D+01 -0.208635D+01  0.573152D+01 -0.166573D+00 -0.803318D+01
      2   0.147461D+01  0.560243D+00 -0.568938D+01  0.194099D+01  0.287148D+01
      3  -0.272077D+01 -0.251295D+01  0.854798D+01 -0.483100D+01 -0.773366D+01
               316           317           318           319           320 
      1   0.445988D+01  0.145320D+01 -0.780375D+01  0.129881D+01  0.400819D+01
      2   0.666315D+01  0.121619D+01 -0.155380D+01 -0.562201D+00  0.937877D+00
      3   0.158640D+02  0.400174D+01 -0.667874D+01  0.292729D+01  0.197456D+01
               321           322           323           324           325 
      1  -0.190812D+01 -0.533017D+01 -0.326002D+00  0.804736D+01  0.107183D+01
      2  -0.464559D+00 -0.492888D+01 -0.195200D+01  0.255423D+01 -0.283416D+01
      3  -0.219040D+01 -0.767207D+01 -0.473260D+01  0.743378D+01 -0.110855D+02
               326           327           328           329           330 
      1   0.472935D+01  0.255297D+01 -0.209552D+01 -0.668554D+01 -0.671496D+01
      2   0.110310D+01  0.623147D+00  0.244667D+01 -0.164886D-01 -0.345937D+00
      3   0.639137D+01 -0.377229D+01  0.116242D+02 -0.582610D+01  0.408081D+01
               331           332           333           334           335 
      1   0.181743D+01 -0.495535D+01  0.877763D+00 -0.212147D+01 -0.191052D+01
      2  -0.187553D+01 -0.156700D+00  0.834852D+00  0.114681D+02  0.514971D+01
      3  -0.317096D+01  0.170131D+01 -0.110768D+01  0.130780D+01 -0.113822D+00
               336           337           338           339           340 
      1  -0.490074D+00 -0.101235D+01 -0.123446D+01  0.121867D+01 -0.187758D+01
      2  -0.812185D+01  0.679668D+01  0.205430D+01 -0.923724D+00 -0.124014D+02
      3  -0.307254D+01  0.262793D+01  0.397381D+00 -0.559445D+00 -0.350686D+01
               341           342           343           344           345 
      1   0.223119D+01  0.233251D+01  0.137908D+01  0.161205D+01  0.423393D+00
      2  -0.267081D+00  0.842527D+01 -0.209960D+00 -0.101988D+01 -0.143278D+01
      3   0.900672D+00  0.199091D+01 -0.126543D+01 -0.170381D+01  0.125539D+00
               346           347           348           349           350 
      1   0.200016D+01  0.882275D+01  0.614831D+01  0.622264D+00  0.754433D+01
      2  -0.222432D+01  0.361277D+01  0.445700D+01 -0.254108D+01  0.487786D+01
      3   0.124969D+01 -0.516678D+01 -0.567369D+01  0.352451D+00 -0.506238D+01
               351           352           353           354           355 
      1   0.509319D+01  0.143726D+01 -0.275976D+01  0.258241D+01 -0.205909D+01
      2   0.701556D+01  0.229576D+01 -0.203471D+01  0.274584D+01  0.244085D+01
      3  -0.528329D+01 -0.172377D+01 -0.541979D+01  0.207424D+01 -0.302761D+01
               356           357           358           359           360 
      1   0.443856D+01 -0.493971D+01  0.176996D+01 -0.323915D+01  0.174124D+01
      2  -0.671319D+00 -0.570536D+01  0.192816D+00 -0.536752D+01  0.114647D+01
      3   0.174338D+02 -0.158683D+01 -0.187947D+00 -0.412040D+01  0.446165D+01
               361           362           363           364           365 
      1  -0.343067D+00 -0.127236D+01 -0.283221D+01  0.139855D+01 -0.157880D+01
      2  -0.904002D+01 -0.585883D+01 -0.702915D+01  0.343089D+00 -0.846977D+01
      3   0.116065D+02  0.473183D+01  0.549679D+01  0.440629D+01  0.769471D+01
               366           367           368           369           370 
      1  -0.294498D+01  0.154615D+01 -0.180381D+01 -0.848078D+01  0.521000D+00
      2  -0.645939D+01 -0.736708D+01 -0.124036D+02 -0.177670D+02 -0.695061D+01
      3   0.549300D+01  0.793308D+01  0.875341D+01  0.106933D+02  0.499993D+01
               371           372           373           374           375 
      1  -0.209882D+01  0.169092D+00 -0.657098D+00  0.242517D+01  0.104354D+00
      2   0.507058D+01  0.107202D+02  0.528451D+01 -0.581270D+01 -0.580074D+01
      3  -0.692446D+01 -0.534866D+01 -0.479381D+01  0.921343D+01  0.627607D+01
               376           377           378           379           380 
      1   0.336671D-01  0.239009D+01 -0.959267D+00 -0.320516D+01  0.323335D+01
      2   0.904136D+01 -0.439325D+01 -0.131374D+02 -0.116988D+02  0.595845D+01
      3  -0.495138D+01  0.531325D+01  0.393083D+01 -0.453904D+01  0.538084D+01
               381           382           383           384           385 
      1  -0.190549D+01  0.394560D+01 -0.620518D+01  0.221795D+01 -0.269764D+01
      2  -0.455930D+01  0.102886D+02 -0.944635D+01  0.109940D+02 -0.596377D+01
      3  -0.324868D+01  0.940703D+01 -0.126644D+02  0.602363D+01 -0.430917D+01
               386           387           388           389           390 
      1   0.489201D+01 -0.377531D+01  0.836594D+00 -0.815451D-01 -0.129590D+01
      2   0.817654D+01 -0.152586D+02 -0.865324D+01 -0.421955D+01  0.752201D+01
      3   0.630471D+01 -0.639370D+01 -0.162838D+02 -0.125218D+02  0.289546D+01
               391           392           393           394           395 
      1   0.126478D+01 -0.243589D+00 -0.160435D+01 -0.512520D+00  0.813695D+00
      2  -0.855397D+01 -0.250052D+01  0.432530D+01  0.858009D+01  0.266298D+01
      3  -0.143307D+02 -0.143362D+02  0.109055D+01  0.696626D+01  0.379075D+01
               396           397           398           399           400 
      1   0.107394D+01 -0.123371D+01  0.777506D+00  0.334211D-02  0.919570D+00
      2  -0.584204D+01  0.817501D+01 -0.398255D+01  0.646319D+01 -0.843010D+01
      3  -0.194090D+01  0.622648D+01 -0.722122D+01  0.512077D+01 -0.107888D+02
               401           402           403           404           405 
      1  -0.116800D+01 -0.799841D+00 -0.215154D+00  0.227357D+01  0.259341D-01
      2   0.609357D+01 -0.112507D+02  0.774340D+01 -0.699819D+01  0.151624D+02
      3   0.154089D+02 -0.773779D+01  0.930117D+01 -0.884182D+01  0.777047D+01
               406           407           408           409           410 
      1   0.644167D+01 -0.287046D+01  0.830752D+00 -0.434955D+00  0.889460D+01
      2  -0.451665D+01  0.175031D+01 -0.145686D+01 -0.146764D+01 -0.100777D+02
      3  -0.719998D+01  0.301934D+01 -0.524638D+01  0.445646D+00 -0.224487D+02
               411           412           413           414           415 
      1  -0.608289D+01  0.990781D+00 -0.498469D+01  0.594105D+01 -0.207058D+01
      2   0.575102D+01  0.131375D+01  0.914202D+01 -0.903529D+01  0.468715D+01
      3   0.672170D+01 -0.901528D+01  0.101621D+02 -0.105910D+02 -0.159818D+01
               416           417           418           419           420 
      1  -0.889592D+00 -0.254220D+01  0.336497D+00  0.125150D+01 -0.144979D+01
      2   0.381598D+01  0.596310D+01  0.197094D+01  0.393441D+01  0.609495D+01
      3  -0.445158D+01 -0.318521D+01 -0.428744D+01 -0.873285D+01 -0.544584D+01
               421           422           423 
      1  -0.182006D+01  0.370052D-01 -0.553470D+01
      2   0.560942D+01  0.948458D+01  0.197900D+02
      3  -0.328992D+01 -0.767323D+01 -0.939602D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.368525D+02  0.831330D+01  0.103765D+02  0.164452D+02  0.159371D+02
      2   0.204506D+02 -0.595609D+01 -0.763440D+00 -0.154064D+02 -0.365146D+02
      3   0.164019D+02 -0.235721D+01 -0.961302D+01 -0.103884D+01  0.205775D+02
      4   0.561998D+00 -0.327723D+01  0.150446D+01 -0.849888D+01 -0.440884D+02
      5   0.699609D+01 -0.137673D+01  0.868563D+01  0.678274D+00  0.297023D+01
      6  -0.170673D+01  0.295279D+00  0.403070D+01  0.347865D+01  0.796351D+01
                 6             7             8             9            10 
      1   0.190709D+01  0.116091D+02  0.329419D+01  0.141215D+02  0.264260D+02
      2   0.495648D+01 -0.623476D+01 -0.166591D+01  0.519519D+01 -0.226881D+02
      3  -0.686357D+01 -0.537430D+01 -0.162828D+01 -0.193167D+02 -0.373799D+01
      4   0.576329D+01  0.941530D+01  0.343345D+01  0.343739D+01  0.313390D+02
      5   0.413342D+01  0.236872D+01 -0.659928D+00  0.184639D+02 -0.203474D+01
      6   0.156988D+01 -0.111697D+01 -0.224084D+00  0.998052D+01 -0.447392D+01
                11            12            13            14            15 
      1   0.118497D+02 -0.432239D+01  0.521546D+02  0.884897D+01 -0.114542D+02
      2   0.105591D+02  0.239848D+01 -0.150451D+02 -0.140479D+02  0.428299D+01
      3  -0.224088D+02  0.192391D+01 -0.371094D+02  0.519892D+01  0.717123D+01
      4   0.137895D+02 -0.825237D+01  0.199504D+02  0.151256D+02 -0.154795D+01
      5  -0.545477D+01  0.932301D+01 -0.282716D+01 -0.295675D+01  0.314599D+01
      6   0.589134D+01 -0.104792D+01 -0.103979D+01 -0.256286D+01  0.622555D+01
                16            17            18            19            20 
      1  -0.241641D+02  0.435555D+01  0.816684D+01  0.658579D+02 -0.174320D+02
      2   0.518726D+01 -0.995484D+01 -0.331014D+01 -0.369833D+02  0.172328D+02
      3   0.189769D+02  0.559928D+01 -0.485669D+01 -0.288746D+02  0.199278D+00
      4  -0.250027D+01 -0.966018D+01  0.997126D+01 -0.292401D+02  0.118772D+02
      5   0.183059D+02  0.733091D+01 -0.991784D+01  0.435534D+02 -0.922685D+01
      6   0.675736D+01  0.238473D+01 -0.389645D+01 -0.105052D+02  0.595244D+01
                21            22            23            24            25 
      1   0.173085D+02 -0.541980D+02  0.422247D+01  0.117541D+02  0.260254D+02
      2  -0.194351D+02  0.180009D+02  0.103034D+02 -0.777316D+01 -0.574840D+01
      3   0.212663D+01  0.361970D+02 -0.145259D+02 -0.398091D+01 -0.202770D+02
      4  -0.849426D+01  0.384485D+01 -0.135588D+02  0.643279D+01  0.156414D+02
      5   0.151633D+02  0.701971D+01  0.814199D+01 -0.842327D+00 -0.412642D+00
      6  -0.591085D+01  0.775043D+01 -0.242882D+01 -0.149343D+01  0.166942D+01
                26            27            28            29            30 
      1   0.938465D+01 -0.446006D+01 -0.439096D+02  0.561071D+01 -0.219994D+02
      2  -0.898184D+01 -0.108293D+01  0.322635D+02 -0.962163D+01  0.169782D+02
      3  -0.402814D+00  0.554299D+01  0.116461D+02  0.401092D+01  0.502116D+01
      4   0.201314D+00 -0.296155D+01  0.989296D+01  0.281423D+01  0.115520D+02
      5   0.165569D+00  0.293498D+01 -0.436515D+02  0.114448D+02 -0.353842D+02
      6   0.605002D+00  0.102706D+02  0.107813D+02 -0.228455D+01  0.791685D+01
                31            32            33            34            35 
      1   0.322366D+01  0.909588D+01  0.351468D+01 -0.360125D+02  0.139793D+02
      2   0.541896D+01 -0.220988D+02 -0.480361D+00  0.285580D+02 -0.101844D+02
      3  -0.864263D+01  0.130029D+02 -0.303432D+01  0.745455D+01 -0.379486D+01
      4  -0.110833D+02  0.375051D+02 -0.440632D+01  0.178886D+02  0.523867D+01
      5   0.789302D+01 -0.674227D+01 -0.621376D+01 -0.581385D+02 -0.679351D+00
      6  -0.485050D+01  0.747911D+01  0.882287D+00  0.124362D+02 -0.638287D+00
                36            37            38            39            40 
      1  -0.374102D+02 -0.760401D+02  0.481007D+02  0.128111D+02  0.535360D+02
      2   0.274669D+02  0.339823D+02 -0.219298D+02 -0.351195D+01 -0.260028D+02
      3   0.994326D+01  0.420578D+02 -0.261709D+02 -0.929915D+01 -0.275332D+02
      4   0.288349D+00  0.537850D+02 -0.125357D+02 -0.471010D+01 -0.178767D+02
      5  -0.232221D+02  0.137806D+02 -0.513788D+01  0.235304D+02 -0.320305D+01
      6   0.372366D+01 -0.790659D+01  0.194847D+01 -0.444111D+01  0.108137D+01
                41            42            43            44            45 
      1  -0.122790D+02  0.107699D+01  0.617809D+01  0.211997D+01  0.331606D+02
      2   0.792846D+01  0.898548D+00  0.265131D+00  0.164795D+01 -0.163107D+02
      3   0.435053D+01 -0.197554D+01 -0.644322D+01 -0.376792D+01 -0.168499D+02
      4  -0.142231D+02  0.676383D+01 -0.169998D+01  0.605847D+01  0.159072D+02
      5   0.707206D+01  0.164341D+02  0.323714D+02  0.167950D+02  0.496396D+01
      6   0.375128D+00 -0.333482D+01 -0.290876D+01 -0.262549D+01 -0.479544D+01
                46            47            48            49            50 
      1   0.171662D+02 -0.307563D+02 -0.433761D+00 -0.483282D+02 -0.102769D+02
      2  -0.736119D+01  0.174701D+02 -0.597457D+01  0.265145D+02  0.100317D+02
      3  -0.980502D+01  0.132861D+02  0.640834D+01  0.218137D+02  0.245286D+00
      4  -0.335834D+02 -0.116997D+02  0.345527D+01 -0.178410D+02  0.157287D+02
      5   0.690745D+01  0.583164D+01 -0.400094D+02  0.574364D+01 -0.339159D+01
      6   0.607429D+01  0.405685D-02 -0.102621D+02  0.176451D+01 -0.334036D+01
                51            52            53            54            55 
      1   0.113267D+01  0.119847D+02 -0.147004D+00 -0.534067D+02 -0.433893D+01
      2  -0.451092D+01 -0.150051D+02 -0.446865D+01  0.279946D+02 -0.939215D+01
      3   0.337825D+01  0.302047D+01  0.461565D+01  0.254121D+02  0.137311D+02
      4  -0.346112D+01  0.306732D+01 -0.417141D+01 -0.405304D+02  0.156910D+02
      5  -0.255967D+02 -0.696994D+02 -0.347644D+02  0.130858D+02  0.284526D+01
      6  -0.770130D+01 -0.192017D+02 -0.765417D+01  0.408732D+01 -0.395562D+01
                56            57            58            59            60 
      1   0.914502D+01 -0.230538D+02 -0.434040D+01 -0.139872D+01  0.541802D+01
      2  -0.977715D+01 -0.105883D+02 -0.340174D+01  0.822722D+01  0.108363D+01
      3   0.632139D+00  0.336420D+02  0.774215D+01 -0.682850D+01 -0.650165D+01
      4  -0.306496D+01 -0.509223D+00  0.562679D+01  0.369405D+01 -0.215171D+01
      5  -0.176705D-01  0.245607D+02 -0.377963D+00 -0.122383D+01  0.785271D+01
      6   0.205320D+01  0.707433D+01 -0.414442D+00  0.354621D+01 -0.937522D+01
                61            62            63            64            65 
      1   0.215971D+01 -0.157259D+02 -0.347478D+01 -0.186493D+01 -0.626304D+01
      2  -0.220608D+02  0.980853D+01 -0.286366D+02  0.611768D+01 -0.360706D+01
      3   0.199011D+02  0.591734D+01  0.321114D+02 -0.425275D+01  0.987010D+01
      4  -0.124479D+02  0.389064D+01 -0.723483D-01  0.163214D-01  0.978162D+01
      5   0.284157D+02 -0.788413D+00  0.309113D+02  0.590041D+01 -0.285995D+01
      6  -0.552126D+01 -0.560398D+01  0.563162D+00 -0.796081D+00 -0.615874D+00
                66            67            68            69            70 
      1   0.579885D+01 -0.650985D+01  0.730089D+01 -0.264945D+02 -0.136178D+01
      2  -0.886412D+01 -0.274425D+00 -0.183142D+02 -0.439296D+01 -0.530194D+01
      3   0.306528D+01  0.678427D+01  0.110134D+02  0.308875D+02  0.666372D+01
      4  -0.321173D+01  0.427985D+01  0.928109D+00  0.107011D+01 -0.451824D+01
      5   0.417928D+01 -0.916918D+00  0.972515D+00  0.179676D+02  0.224761D+01
      6   0.144545D+02  0.299892D+01  0.552564D+01  0.159171D+02  0.400230D+01
                71            72            73            74            75 
      1  -0.228929D+02 -0.217198D+02 -0.377958D+01 -0.401265D+01 -0.406278D+01
      2   0.119088D+02 -0.161018D+02  0.125334D+02 -0.762897D+01  0.190149D+01
      3   0.109841D+02  0.378216D+02 -0.875380D+01  0.116416D+02  0.216129D+01
      4   0.889101D+01  0.853782D+01 -0.916251D+01 -0.475961D+00  0.163099D+02
      5   0.745752D+01  0.226609D+02  0.567890D+01  0.131702D+02 -0.794031D+00
      6   0.155823D+02  0.202742D+02  0.122015D+02  0.637865D+01  0.336060D+01
                76            77            78            79            80 
      1   0.127930D+02 -0.373182D+02 -0.921861D+01  0.386412D+00  0.459372D+01
      2  -0.591977D+01  0.546567D+02 -0.838012D+00 -0.192888D+00  0.500660D+00
      3  -0.687320D+01 -0.173385D+02  0.100566D+02 -0.193524D+00 -0.509438D+01
      4   0.657154D+01  0.246027D+02  0.450468D+01  0.781701D+01  0.761381D+01
      5   0.183045D+01  0.571842D+01  0.465977D+01 -0.219742D+01  0.224683D+01
      6   0.248475D+01  0.236770D+02  0.108955D+02  0.646864D+01  0.913614D+01
                81            82            83            84            85 
      1  -0.863936D+01  0.880444D+01  0.186043D+02 -0.948220D-01  0.125834D+02
      2   0.110751D+02 -0.144726D+02 -0.418839D+02 -0.647947D+01 -0.248717D+02
      3  -0.243576D+01  0.566818D+01  0.232796D+02  0.657429D+01  0.122882D+02
      4  -0.196224D+01 -0.960710D+00 -0.228322D+02 -0.133354D+02 -0.147528D+02
      5   0.497470D+01  0.712112D+00 -0.788735D+01 -0.465683D+01 -0.361061D+01
      6  -0.282895D+00 -0.165330D+02 -0.855928D+01  0.149160D+02 -0.310639D+01
                86            87            88            89            90 
      1   0.311069D+02  0.620602D+01 -0.189194D+01 -0.586307D+01  0.424089D+01
      2  -0.607762D+02 -0.120634D+02 -0.164869D+01  0.608758D+01 -0.454786D+01
      3   0.296693D+02  0.585733D+01  0.354063D+01 -0.224515D+00  0.306974D+00
      4  -0.385819D+02 -0.203141D+01 -0.914262D+01 -0.144843D+01  0.101282D+02
      5  -0.216246D+01 -0.258014D+00 -0.417406D+01  0.175815D+01  0.302750D+01
      6  -0.242810D+02 -0.481943D+01  0.173161D+02 -0.107227D+02 -0.276450D+00
                91            92            93            94            95 
      1   0.831198D+01 -0.195106D+02  0.120054D+01 -0.129406D+02  0.332374D+02
      2  -0.131750D+02  0.416653D+02 -0.786942D+01  0.234121D+02 -0.607385D+02
      3   0.486305D+01 -0.221547D+02  0.666888D+01 -0.104715D+02  0.275011D+02
      4  -0.750323D+00 -0.207828D+02  0.131780D+02 -0.126458D+02  0.363201D+02
      5   0.139311D+01  0.774505D+01 -0.516633D+01  0.333326D+01 -0.267031D+01
      6   0.163329D+02 -0.930581D+01 -0.143191D+02 -0.403615D+01  0.256040D+02
                96            97            98            99           100 
      1  -0.719758D+01  0.196695D+00  0.514834D+01  0.393795D+01 -0.993110D+01
      2   0.133472D+02 -0.399401D+01 -0.504032D+01 -0.445276D+01  0.138225D+02
      3  -0.614961D+01  0.379731D+01 -0.108024D+00  0.514811D+00 -0.389137D+01
      4  -0.312742D+01  0.849082D+01 -0.288102D+01 -0.999069D+01  0.143298D+02
      5   0.496330D+00 -0.458090D+01 -0.170252D+01  0.355448D+01  0.340106D+01
      6  -0.549403D+01 -0.167017D+02 -0.108766D+02  0.362982D+00 -0.119375D+02
               101           102           103           104           105 
      1   0.538349D+01 -0.304514D+01 -0.891114D+01 -0.391540D+02  0.918425D+01
      2   0.669567D+01  0.268858D+01  0.492757D+01  0.537876D+02  0.167271D+00
      3  -0.120792D+02  0.356559D+00  0.398357D+01 -0.146336D+02 -0.935152D+01
      4  -0.257430D+01 -0.150936D+02  0.396790D+01 -0.196384D+02  0.423229D+01
      5  -0.119235D+02  0.513898D+00 -0.920965D+00  0.487548D+01 -0.324066D+01
      6   0.508975D+01 -0.371653D+01  0.873653D+00 -0.241243D+02  0.986951D+01
               106           107           108           109           110 
      1  -0.229394D+01 -0.276290D+01 -0.955901D+01  0.196681D+02 -0.131108D+02
      2   0.838598D+00 -0.112167D+01  0.887526D+01 -0.141072D+02 -0.122164D+02
      3   0.145534D+01  0.388457D+01  0.683759D+00 -0.556090D+01  0.253272D+02
      4  -0.672842D+01  0.676511D+01  0.147027D+01 -0.359740D+02  0.188525D+02
      5  -0.144029D+01 -0.231605D+01  0.414133D+01  0.442687D+01  0.455448D+01
      6  -0.656375D+01  0.971342D+01 -0.159176D+01  0.716928D+01  0.689351D+01
               111           112           113           114           115 
      1  -0.284688D+01 -0.482689D+02  0.139159D+02  0.757943D+01 -0.331011D+02
      2  -0.157983D+00  0.779032D+01 -0.146524D+02 -0.863899D+00  0.475594D+01
      3   0.300486D+01  0.404785D+02  0.736481D+00 -0.671553D+01  0.283452D+02
      4   0.790045D+01  0.263823D+02 -0.185171D+02 -0.231926D+01  0.962821D+01
      5   0.448853D+01 -0.192940D+01 -0.279099D+01 -0.125772D+01  0.151189D+02
      6   0.185116D+01 -0.132030D+01  0.279921D+01  0.602763D+01 -0.264727D+01
               116           117           118           119           120 
      1  -0.325168D+01  0.589557D+01  0.691573D+02  0.156649D+02  0.145251D+02
      2   0.112237D+02  0.106884D+01 -0.397976D+02 -0.144143D+02 -0.184264D+02
      3  -0.797205D+01 -0.696441D+01 -0.293597D+02 -0.125062D+01  0.390132D+01
      4  -0.132394D+02 -0.109925D+02  0.274154D+02  0.130387D+02  0.666603D+01
      5  -0.684642D+01 -0.549815D+01  0.379522D+02  0.711343D+01  0.181496D+02
      6   0.443770D+01  0.170142D+01  0.694915D+01  0.685263D+01  0.645433D+01
               121           122           123           124           125 
      1   0.432497D+02  0.566297D+01 -0.120014D+02  0.272610D+02 -0.104810D+02
      2  -0.838560D+01  0.719333D+01  0.651685D+01 -0.548788D+01  0.868989D+01
      3  -0.348641D+02 -0.128563D+02  0.548457D+01 -0.217732D+02  0.179116D+01
      4   0.344512D+01  0.134574D+02  0.607176D+01 -0.176400D+02  0.383394D+01
      5  -0.897536D+01  0.668172D+01  0.576207D+00  0.422728D+01  0.210246D+01
      6   0.832853D+01  0.859498D+00 -0.306981D+00 -0.324643D+01  0.992279D-01
               126           127           128           129           130 
      1  -0.423201D+01 -0.352864D+01 -0.113495D+02 -0.270001D+02  0.245156D+01
      2  -0.280849D+01 -0.492191D+01  0.111805D+02 -0.101212D+02  0.497185D+01
      3   0.704050D+01  0.845055D+01  0.169014D+00  0.371213D+02 -0.742341D+01
      4   0.557831D+01 -0.216457D+02 -0.192986D+01 -0.430703D+00  0.438406D+01
      5   0.632041D+01  0.705530D+00 -0.857356D+00  0.194881D+02  0.105911D+01
      6  -0.629663D+01  0.260728D+01  0.969808D+00 -0.762162D+01  0.156293D+00
               131           132           133           134           135 
      1  -0.192400D+01 -0.388971D+01  0.710030D+01  0.161876D+02 -0.567391D+01
      2   0.818423D+01 -0.123843D+01 -0.261517D+02 -0.100861D+02 -0.297930D+02
      3  -0.626022D+01  0.512815D+01  0.190514D+02 -0.610151D+01  0.354669D+02
      4  -0.218099D+01 -0.127396D+01  0.112533D+02  0.256847D+01 -0.999827D+00
      5  -0.750662D+00 -0.868346D+01  0.274087D+02  0.365564D-01  0.338023D+02
      6  -0.423307D+01 -0.937830D+01  0.482763D+01 -0.510534D+01 -0.159309D+01
               136           137           138           139           140 
      1  -0.295710D+01  0.580197D+01  0.805516D+01  0.449281D+01  0.959492D+01
      2   0.611411D+01  0.158160D+01 -0.878917D+01 -0.143345D+01 -0.185574D+02
      3  -0.315701D+01 -0.738357D+01  0.734006D+00 -0.305935D+01  0.896250D+01
      4   0.179177D+01  0.100087D+02  0.358744D+01  0.788728D+01 -0.242632D+01
      5   0.576158D+01  0.274173D+01  0.307111D+01  0.474110D+00  0.114668D+01
      6   0.548974D+00 -0.132302D+01 -0.120105D+02  0.368057D+01 -0.439764D+01
               141           142           143           144           145 
      1   0.276436D+02 -0.827756D+00  0.232478D+02 -0.213411D+02 -0.210984D+02
      2   0.614279D+01 -0.535663D+01 -0.120956D+02 -0.148012D+02  0.693906D+00
      3  -0.337864D+02  0.618438D+01 -0.111522D+02  0.361424D+02  0.204045D+02
      4   0.293420D+00  0.640452D+01  0.743947D+01 -0.612019D+01  0.240236D+02
      5  -0.145912D+02 -0.219846D+00 -0.608841D+01  0.207149D+02  0.144539D+01
      6   0.169307D+02 -0.314348D+01  0.152948D+02 -0.191004D+02 -0.525853D+00
               146           147           148           149           150 
      1   0.490489D+01  0.110705D+02  0.136652D+02 -0.202711D+02  0.633019D+01
      2   0.160240D+02 -0.602872D+01  0.183220D+02 -0.123895D+02 -0.361863D+01
      3  -0.209289D+02 -0.504179D+01 -0.319872D+02  0.326605D+02 -0.271156D+01
      4  -0.306843D+02  0.610925D+01 -0.577810D+02  0.489207D+02  0.697934D-01
      5   0.103622D+02  0.435097D+01  0.100526D+02 -0.166066D+01  0.444208D+01
      6  -0.641282D+01 -0.773206D+01  0.474495D+00  0.314775D+00 -0.695399D+01
               151           152           153           154           155 
      1   0.144888D+02  0.189328D+02  0.147816D+02 -0.562548D+01  0.215293D+02
      2  -0.130626D+02 -0.244871D+01 -0.765658D+01  0.456511D+01 -0.194947D+02
      3  -0.142620D+01 -0.164841D+02 -0.712503D+01  0.106037D+01 -0.203461D+01
      4   0.165728D+02 -0.110098D+02  0.741543D+01  0.286329D+02 -0.284551D+01
      5   0.176261D+01  0.937196D+01  0.479857D+01  0.292829D+02 -0.325318D+02
      6  -0.333585D+01 -0.897228D+01 -0.933331D+01 -0.102204D+02  0.307782D+01
               156           157           158           159           160 
      1   0.191179D+02  0.287620D+02  0.543570D+01 -0.393967D+02  0.177003D+02
      2  -0.956698D+01 -0.238324D+02  0.212919D+01  0.180087D+02 -0.791620D+01
      3  -0.955095D+01 -0.492959D+01 -0.756490D+01  0.213880D+02 -0.978411D+01
      4  -0.321636D+02 -0.338571D+01 -0.202139D+01  0.176021D+02 -0.395531D+02
      5  -0.212909D+02 -0.449439D+02  0.148737D+02  0.128458D+00 -0.220099D+02
      6   0.913455D+01  0.618254D+01 -0.118493D+01 -0.535856D+01  0.108005D+02
               161           162           163           164           165 
      1  -0.355279D+02 -0.141181D+02 -0.545031D+02 -0.314523D+02 -0.450963D+01
      2   0.143662D+02  0.106216D+02  0.233683D+02  0.147611D+02  0.438234D+01
      3   0.211618D+02  0.349648D+01  0.311347D+02  0.166912D+02  0.127297D+00
      4   0.169321D+02 -0.130674D+01 -0.356766D+02 -0.206752D+02  0.302901D+02
      5  -0.158100D+01  0.185413D+02 -0.368057D+01  0.297454D+02  0.663297D+00
      6  -0.422861D+01 -0.108420D+01  0.749368D+01  0.648228D+00  0.270837D+01
               166           167           168           169           170 
      1  -0.502789D+02 -0.298975D+02  0.424151D+02 -0.254505D+01  0.419658D+02
      2   0.228900D+02  0.147658D+02 -0.214477D+02  0.218533D+01 -0.224539D+02
      3   0.273889D+02  0.151316D+02 -0.209674D+02  0.359723D+00 -0.195119D+02
      4  -0.362314D+02  0.322779D+01 -0.989749D+01  0.465451D+02 -0.747372D+01
      5   0.457708D+02 -0.101496D+02  0.205414D+02 -0.102871D+02  0.191749D+02
      6  -0.284273D+01  0.439540D+01 -0.295983D+01  0.364239D+01 -0.292964D+01
               171           172           173           174           175 
      1  -0.603245D+01 -0.202587D+02  0.334237D+01  0.303813D+01 -0.374699D+01
      2   0.283469D+01  0.135806D+02  0.150369D+01 -0.126206D+01 -0.177289D+01
      3   0.319776D+01  0.667802D+01 -0.484607D+01 -0.177607D+01  0.551989D+01
      4   0.183125D+02 -0.237154D+01 -0.611691D+01 -0.196367D+02 -0.230799D+02
      5  -0.702216D+01 -0.101598D+02 -0.201374D+02 -0.215616D+02 -0.268717D+02
      6   0.470185D+01 -0.596656D+01 -0.678359D+01 -0.700560D+01 -0.884093D+01
               176           177           178           179           180 
      1  -0.530529D+01 -0.207113D+02  0.116287D+02 -0.160592D+02 -0.969616D+01
      2  -0.368853D+01  0.175454D+02  0.316807D+01  0.187748D+02  0.878129D+01
      3   0.899382D+01  0.316592D+01 -0.147968D+02 -0.271560D+01  0.914864D+00
      4  -0.256338D+02 -0.149291D+01 -0.207534D+02  0.241008D+01 -0.272118D+02
      5  -0.135984D+01 -0.191327D+02 -0.322463D+02 -0.287136D+02 -0.321909D+02
      6  -0.287756D+01 -0.734437D+01 -0.144281D+02 -0.987275D+01 -0.142027D+02
               181           182           183           184           185 
      1  -0.618198D+02  0.912876D+00 -0.146815D+02  0.177974D+01  0.138979D+02
      2   0.427107D+02 -0.566480D+00  0.300206D+02 -0.223353D+00 -0.192664D+02
      3   0.191091D+02 -0.346396D+00 -0.153391D+02 -0.155639D+01  0.536845D+01
      4   0.101894D+01 -0.156690D+02  0.395985D+00 -0.141095D+02 -0.183355D+01
      5  -0.351942D+02  0.344230D+00 -0.358120D+02 -0.461344D+00 -0.658363D+01
      6  -0.280980D-01 -0.595593D+00 -0.905711D+00 -0.889003D+01 -0.146954D-01
               186           187           188           189           190 
      1   0.150988D+00 -0.222561D+02  0.251557D+00  0.163991D+02  0.295679D+02
      2  -0.103880D+01  0.368359D+02  0.195248D+00  0.200674D+02 -0.112499D+02
      3   0.887810D+00 -0.145798D+02 -0.446805D+00 -0.364665D+02 -0.183180D+02
      4  -0.418362D+01  0.162487D+01 -0.105358D+02 -0.700905D+00 -0.250228D+02
      5  -0.132606D+01 -0.245596D+02  0.181545D+00 -0.314967D+02 -0.143318D+02
      6  -0.212481D+02 -0.561468D+00 -0.851783D+01 -0.135771D-01  0.118534D+02
               191           192           193           194           195 
      1  -0.128412D+01 -0.158250D+01 -0.168571D+01 -0.494437D+02 -0.182572D+02
      2  -0.592329D+01  0.271362D+01 -0.105853D+02  0.790563D+02  0.164750D+02
      3   0.720740D+01 -0.113112D+01  0.122710D+02 -0.296126D+02  0.178216D+01
      4   0.277099D+02  0.117418D+02  0.265574D+02 -0.297025D+02 -0.112544D+02
      5   0.113663D+02  0.203693D+02  0.367356D+01 -0.126285D+02 -0.687019D+01
      6  -0.523656D+01 -0.810211D+01 -0.926041D+01  0.351187D+02  0.323969D+02
               196           197           198           199           200 
      1   0.495324D+00 -0.192797D+02 -0.263322D+02  0.328765D+02 -0.654495D-01
      2   0.507546D+01  0.841788D+01 -0.258567D+01 -0.158740D+02  0.713131D+01
      3  -0.557078D+01  0.108619D+02  0.289179D+02 -0.170025D+02 -0.706586D+01
      4   0.791966D+01 -0.687279D+01 -0.136630D+02  0.230840D+02  0.252557D+02
      5   0.211736D+02 -0.133617D+02 -0.191487D+02 -0.176280D+02 -0.106051D+02
      6  -0.133070D+02  0.350090D+02  0.368931D+02 -0.111343D+02 -0.617539D+01
               201           202           203           204           205 
      1  -0.160242D+01 -0.239789D+01 -0.418670D+02  0.187930D+02  0.153894D+01
      2   0.456583D+01  0.117972D+02  0.644664D+02 -0.158817D+02  0.636190D+01
      3  -0.296340D+01 -0.939931D+01 -0.225993D+02 -0.291130D+01 -0.790084D+01
      4  -0.113172D+02  0.261475D+02  0.301641D+02 -0.136217D+02 -0.779040D+01
      5   0.243293D+02 -0.426168D+01 -0.148819D+02  0.845549D+01  0.248637D+02
      6   0.873353D+01 -0.113975D+02 -0.359543D+02  0.327629D+02  0.142886D+02
               206           207           208           209           210 
      1   0.209473D+02 -0.279729D+02 -0.741627D+01  0.642735D+01  0.185363D+02
      2  -0.918432D+01 -0.885702D+01 -0.769836D+01  0.121615D+01  0.103008D+02
      3  -0.117629D+02  0.368299D+02  0.151146D+02 -0.764349D+01 -0.288372D+02
      4  -0.857649D+01  0.145499D+02 -0.357715D+01  0.169805D+01  0.311662D+01
      5   0.140847D+02 -0.253775D+02 -0.105802D+02  0.302120D+01  0.109789D+02
      6   0.331375D+02 -0.384625D+02  0.818620D+01 -0.718430D+01 -0.139177D+02
               211           212           213           214           215 
      1   0.297332D+01 -0.341212D+01 -0.613300D+00  0.968293D+01 -0.229550D+01
      2  -0.106669D+01  0.468623D+00  0.289645D+01  0.465559D+01 -0.855118D+00
      3  -0.190663D+01  0.294349D+01 -0.228315D+01 -0.143385D+02  0.315062D+01
      4   0.120879D+01 -0.188032D+01 -0.124171D+01  0.150692D+01 -0.178190D+01
      5   0.258560D+01 -0.255583D+01 -0.352857D+01  0.823393D+01 -0.262174D+01
      6  -0.399866D+01  0.439173D+01  0.494853D+01 -0.508139D+01  0.472711D+01
               216           217           218           219           220 
      1  -0.166164D+02  0.192618D+00 -0.175782D+01  0.482966D+01  0.174020D+01
      2  -0.112818D+02 -0.612118D-01 -0.906000D+00  0.366656D+01  0.298342D+01
      3   0.278982D+02 -0.131406D+00  0.266382D+01 -0.849622D+01 -0.472362D+01
      4  -0.261505D+01 -0.227496D+01  0.180053D+01 -0.171464D+01  0.517619D+01
      5  -0.114894D+02  0.107630D+01 -0.260429D+01  0.130544D+01 -0.824407D+01
      6   0.773371D+01 -0.285163D+01  0.123821D+01  0.589188D+00  0.625866D+01
               221           222           223           224           225 
      1  -0.155471D+02  0.186600D+02  0.230611D+00  0.119729D+02 -0.206283D+02
      2   0.408422D+00  0.576271D+01 -0.703227D+00  0.234128D+01 -0.636229D+01
      3   0.151386D+02 -0.244228D+02  0.472616D+00 -0.143142D+02  0.269906D+02
      4  -0.103912D+02  0.106658D+02 -0.266244D+01  0.429422D+01 -0.598160D+01
      5   0.121560D+02 -0.168868D+02  0.302178D+01 -0.722604D+01  0.107266D+02
      6  -0.222282D+02  0.251484D+02 -0.230110D+01  0.156099D+02 -0.207727D+02
               226           227           228           229           230 
      1  -0.975033D+00  0.358585D+00 -0.744322D+01 -0.111123D+02 -0.549656D+01
      2  -0.199911D+01 -0.503984D+00  0.151348D+01  0.808398D+01  0.562655D+01
      3   0.297414D+01  0.145399D+00  0.592975D+01  0.302837D+01 -0.129991D+00
      4  -0.377218D+01 -0.118471D+01 -0.397486D+00 -0.634478D+00  0.481059D+01
      5  -0.239216D+01  0.178827D+01 -0.111530D+01  0.143954D+01 -0.323661D+01
      6  -0.116926D+00  0.106868D+01 -0.321094D+01 -0.407048D+00 -0.280952D+01
               231           232           233           234           235 
      1   0.129717D+01 -0.199426D+02  0.463619D+00 -0.134814D+02  0.590262D+00
      2  -0.508826D+01  0.105833D+02 -0.163772D+00 -0.110182D+02  0.603126D+01
      3   0.379109D+01  0.935934D+01 -0.299847D+00  0.244996D+02 -0.662152D+01
      4  -0.413686D+01 -0.105141D+02 -0.656852D+01  0.390596D+01  0.879765D+01
      5  -0.311429D+01  0.116200D+02  0.593398D+01 -0.287435D+02 -0.663688D-01
      6   0.186496D+01  0.223230D+01  0.668929D+01 -0.156434D+02  0.226995D+00
               236           237           238           239           240 
      1   0.470861D+01  0.982205D+00  0.947214D+01 -0.242235D+02  0.742294D+00
      2   0.575026D+00 -0.100068D+01  0.534827D+01  0.523465D+02 -0.449270D+01
      3  -0.528363D+01  0.184795D-01 -0.148204D+02 -0.281231D+02  0.375041D+01
      4   0.124161D+02 -0.454694D+00  0.235375D+02  0.583021D+02 -0.848019D+01
      5  -0.805487D+00 -0.422942D+00 -0.604403D+01 -0.493494D+01  0.487395D+01
      6  -0.119859D+01 -0.325737D+00 -0.456004D+01 -0.122219D+02  0.682938D+01
               241           242           243           244           245 
      1   0.137474D+01  0.220676D+00 -0.526216D+01  0.547990D+02  0.185084D+02
      2  -0.748845D+00  0.175650D+01  0.382339D+01 -0.323489D+02 -0.952521D+01
      3  -0.625893D+00 -0.197718D+01  0.143877D+01 -0.224501D+02 -0.898322D+01
      4   0.251263D+00  0.416560D+00  0.553230D+01  0.305574D+02  0.175155D+02
      5   0.163018D+01  0.598253D+01 -0.219221D+01 -0.427581D+02 -0.129203D+02
      6   0.134367D+01  0.753208D+01 -0.223803D+01 -0.989018D+01 -0.479645D+01
               246           247           248           249           250 
      1  -0.282940D+02  0.189885D+02  0.109817D+02 -0.622547D+01 -0.455776D+02
      2   0.190942D+02 -0.810866D+01 -0.490193D+01  0.292355D+01  0.327474D+02
      3   0.919989D+01 -0.108799D+02 -0.607974D+01  0.330192D+01  0.128302D+02
      4  -0.150617D+02  0.243503D+02  0.152421D+02 -0.158602D+02 -0.264889D+02
      5   0.325575D+02 -0.147339D+02 -0.152884D+02  0.150102D+02  0.576884D+02
      6   0.749145D+01 -0.773545D+01 -0.671690D+01  0.895302D+01  0.145520D+02
               251           252           253           254           255 
      1  -0.107052D+02  0.310300D+02  0.439876D+02  0.179155D+02  0.177383D+02
      2   0.726459D+01 -0.278555D+02 -0.198756D+02 -0.697937D+01 -0.793802D+01
      3   0.344062D+01 -0.317449D+01 -0.241120D+02 -0.109362D+02 -0.980027D+01
      4  -0.201592D+02  0.269074D+02  0.271605D+02  0.171783D+02  0.956898D+01
      5   0.237104D+02 -0.536226D+02  0.202500D+02  0.682844D+01  0.183581D+02
      6   0.101612D+02 -0.148504D+02  0.494055D+01  0.210425D+01  0.449762D+01
               256           257           258           259           260 
      1   0.230854D+02  0.123770D+02  0.454946D+01  0.406952D+02  0.122355D+02
      2  -0.780524D+01 -0.137059D+01  0.949515D+00 -0.179994D+02 -0.261721D+01
      3  -0.152802D+02 -0.110064D+02 -0.549897D+01 -0.226958D+02 -0.961825D+01
      4   0.246156D+02  0.186916D+02  0.129764D+02  0.240974D+02  0.223264D+02
      5   0.753903D+01  0.117029D+02  0.115902D+02  0.331471D+02  0.184396D+02
      6   0.381850D+01  0.503611D+01  0.587364D+01  0.983182D+01  0.634649D+01
               261           262           263           264           265 
      1   0.240229D+02 -0.164927D+02 -0.115958D+02 -0.950609D+01 -0.159977D+02
      2  -0.118575D+02  0.873696D+01  0.497905D+01  0.296476D+01  0.831778D+01
      3  -0.121655D+02  0.775574D+01  0.661677D+01  0.654132D+01  0.767992D+01
      4   0.217363D+02 -0.769544D+01 -0.259748D+01 -0.160983D+00  0.411152D+01
      5   0.309359D+02 -0.526432D+01 -0.395764D+00 -0.892533D+01  0.229955D+01
      6   0.897662D+01  0.416354D+01  0.106839D+01  0.299956D+01  0.145560D+01
               266           267           268           269           270 
      1  -0.404900D+01 -0.215327D+01 -0.154240D+02 -0.690129D+01 -0.147283D+02
      2   0.225996D+01  0.122677D+01  0.679437D+01  0.164244D+01 -0.188823D+01
      3   0.178904D+01  0.926502D+00  0.862967D+01  0.525885D+01  0.166166D+02
      4  -0.596794D+01 -0.727867D+01  0.685599D+00 -0.128706D+02 -0.110521D+02
      5  -0.713804D+01 -0.954262D+01  0.836270D+00 -0.121322D+02 -0.284960D+02
      6   0.437383D+01  0.665907D+01  0.767615D+00  0.734460D+01  0.103806D+02
               271           272           273           274           275 
      1   0.141271D+03 -0.417397D+02 -0.151769D+02 -0.396644D+02  0.259525D+02
      2  -0.683339D+02  0.180071D+02  0.842607D+01  0.148133D+02 -0.844526D+01
      3  -0.729366D+02  0.237326D+02  0.675082D+01  0.248511D+02 -0.175072D+02
      4  -0.571045D+02  0.314414D+02  0.569165D+01  0.380320D+02 -0.229743D+02
      5  -0.223329D+02  0.605779D+01  0.120852D+02  0.746002D+01 -0.462634D+01
      6   0.717108D+01 -0.382709D+01 -0.266659D+01 -0.447084D+01  0.277858D+01
               276           277           278           279           280 
      1   0.420196D+01 -0.446117D+01  0.114955D+01  0.111595D+02  0.675334D+02
      2  -0.209885D+01  0.327792D+01 -0.149555D+01 -0.642774D+01 -0.436650D+02
      3  -0.210312D+01  0.118326D+01  0.345999D+00 -0.473176D+01 -0.238684D+02
      4  -0.428677D+01  0.276950D+01 -0.148745D+01 -0.853751D+01 -0.183753D+02
      5  -0.654115D+01  0.166507D+02 -0.861325D+01 -0.429811D+01  0.517482D+02
      6   0.283430D+01 -0.378681D+01  0.293043D+01  0.182908D+01 -0.957421D+01
               281           282           283           284           285 
      1  -0.813448D+01  0.279033D+02  0.618032D+01  0.477893D+01 -0.526531D-01
      2   0.484881D+01 -0.207265D+02 -0.671514D+01 -0.103341D+01 -0.281042D+01
      3   0.328567D+01 -0.717674D+01  0.534822D+00 -0.374552D+01  0.286307D+01
      4   0.989618D+01 -0.106433D+02  0.126384D+02 -0.780216D+01  0.776661D+01
      5  -0.994798D+01  0.385435D+02 -0.558423D-01  0.895653D+01  0.277986D+01
      6   0.421207D+01 -0.797688D+01  0.436132D+01 -0.231542D+01  0.418711D+01
               286           287           288           289           290 
      1   0.465079D+02 -0.108377D+02  0.249641D+02 -0.200239D+01 -0.912739D+01
      2  -0.358220D+02  0.704816D+01 -0.280035D+02  0.283394D+01  0.641313D+01
      3  -0.106859D+02  0.378953D+01  0.303944D+01 -0.831550D+00  0.271426D+01
      4  -0.219469D+02  0.105052D+02 -0.125836D+02 -0.629603D+01  0.860772D+00
      5   0.578022D+02 -0.125082D+02  0.532772D+02  0.300288D+01  0.538105D-01
      6  -0.135443D+02  0.709089D+01 -0.115908D+02  0.151234D+00 -0.265778D+01
               291           292           293           294           295 
      1   0.293546D+01 -0.152751D+02 -0.148027D+02  0.202691D+01  0.127627D+01
      2  -0.196347D+01  0.115258D+00  0.349639D+02 -0.311600D+01 -0.260296D+01
      3  -0.971987D+00  0.151599D+02 -0.201612D+02  0.108909D+01  0.132669D+01
      4   0.402231D+00  0.208771D+02 -0.538775D+02  0.715029D+01 -0.223109D+01
      5   0.335926D+01 -0.401661D+01  0.949081D+01 -0.739339D+01  0.104482D+02
      6  -0.322245D-01  0.386059D+01 -0.120393D+02  0.650400D+01 -0.208175D+01
               296           297           298           299           300 
      1   0.600081D-01  0.294180D+01 -0.514029D+01 -0.227644D+02 -0.453851D+01
      2   0.153690D+01 -0.795725D+00  0.179168D+02  0.476387D+02  0.701468D+01
      3  -0.159691D+01 -0.214607D+01 -0.127765D+02 -0.248743D+02 -0.247616D+01
      4  -0.104193D+01 -0.541286D+01  0.222850D+02  0.339330D+02  0.778126D+01
      5  -0.568654D+01  0.284402D+01  0.481720D+01  0.542978D+01  0.476563D+01
      6   0.497943D+01 -0.238051D+01  0.947774D+01  0.157275D+02  0.624246D+01
               301           302           303           304           305 
      1  -0.116344D+02 -0.469524D+02 -0.831647D+01 -0.148409D+01 -0.396001D+01
      2   0.245967D+02  0.885260D+02  0.135525D+02  0.204836D+01  0.341688D+01
      3  -0.129622D+02 -0.415735D+02 -0.523607D+01 -0.564267D+00  0.543128D+00
      4   0.203364D+02  0.390219D+02  0.638540D+01  0.391362D+01  0.447497D+01
      5   0.321776D+01  0.544076D+01  0.227409D+01  0.415596D+01  0.367090D+01
      6   0.774786D+01  0.259441D+02  0.121005D+02  0.393634D+01  0.164911D+02
               306           307           308           309           310 
      1  -0.710148D+01 -0.369808D+00  0.768871D+01  0.487174D+01  0.325184D+01
      2   0.961211D+01  0.242233D+01 -0.846550D+01 -0.335384D+01 -0.374005D+01
      3  -0.251063D+01 -0.205252D+01  0.776790D+00 -0.151789D+01  0.488209D+00
      4   0.524294D+01 -0.149280D+02  0.111343D+02  0.943378D+01  0.643315D+01
      5   0.277502D+01 -0.767928D+01  0.480843D+01  0.581003D+01  0.161844D+01
      6   0.666577D+01  0.133672D+02 -0.106628D+02 -0.153155D+02 -0.483413D+01
               311           312           313           314           315 
      1  -0.807679D+01 -0.578215D+01  0.448996D+01 -0.111696D+02 -0.102613D+02
      2   0.120778D+02  0.830640D+01 -0.176926D+01  0.113280D+02  0.312288D+01
      3  -0.400096D+01 -0.252424D+01 -0.272070D+01 -0.158347D+00  0.713839D+01
      4  -0.482874D+01 -0.311559D+01  0.933167D+01 -0.485700D+01 -0.855104D+01
      5  -0.246157D+01 -0.195529D+01  0.589378D+01 -0.342498D+01 -0.579506D+01
      6   0.120011D+02  0.931553D+01 -0.121991D+02  0.158736D+02  0.211974D+02
               316           317           318           319           320 
      1  -0.169843D+00 -0.681146D+01  0.478163D+01 -0.256957D+01 -0.740801D+01
      2   0.198113D+01  0.727991D+01 -0.272146D+01  0.304923D+01  0.109197D+02
      3  -0.181128D+01 -0.468457D+00 -0.206016D+01 -0.479654D+00 -0.351165D+01
      4   0.150833D+02  0.108703D+02 -0.996503D+01  0.596497D+01  0.453716D+01
      5  -0.826967D+01 -0.518931D+01  0.659760D+01 -0.158983D+01 -0.246498D+01
      6  -0.136022D+02 -0.105458D+02  0.158564D+02 -0.451573D+01 -0.112408D+02
               321           322           323           324           325 
      1   0.539088D+01  0.456378D+01  0.103390D+02 -0.988332D+01 -0.527088D+01
      2  -0.790546D+01 -0.168775D+01 -0.101986D+02  0.229193D+01  0.167071D+02
      3   0.251458D+01 -0.287603D+01 -0.140415D+00  0.759139D+01 -0.114362D+02
      4  -0.298616D+01 -0.929042D+01 -0.514914D+01  0.887174D+01 -0.204952D+02
      5   0.190245D+01  0.635015D+01  0.379499D+01 -0.663791D+01  0.482319D+01
      6   0.870022D+01  0.122551D+02  0.153812D+02 -0.211345D+02 -0.956161D+01
               326           327           328           329           330 
      1   0.235910D+02 -0.504601D+01  0.112258D+02 -0.482688D+02  0.909770D+01
      2  -0.470773D+02  0.761985D+01 -0.229076D+02  0.884936D+02 -0.146116D+02
      3   0.234863D+02 -0.257385D+01  0.116819D+02 -0.402248D+02  0.551387D+01
      4   0.322121D+02 -0.800483D+01  0.188829D+02 -0.364409D+02  0.660643D+01
      5  -0.562888D+01  0.478059D+01 -0.339775D+01  0.552360D+01 -0.224263D+01
      6   0.165332D+02 -0.667673D+01  0.787635D+01 -0.276608D+02  0.127108D+02
               331           332           333           334           335 
      1  -0.182644D+01  0.509495D+01 -0.758009D+01 -0.707520D+01 -0.576302D+01
      2   0.254674D+01 -0.484449D+01  0.986423D+01 -0.795737D+01 -0.848367D+00
      3  -0.720302D+00 -0.250457D+00 -0.228414D+01  0.150326D+02  0.661139D+01
      4  -0.400509D+01  0.507523D+01 -0.509929D+01  0.399265D+01  0.201716D+01
      5   0.407110D+01 -0.362364D+01  0.280638D+01 -0.124173D+02 -0.323815D+01
      6  -0.392193D+01  0.170244D+02 -0.739529D+01 -0.795595D+01 -0.658014D+01
               336           337           338           339           340 
      1   0.171871D+02 -0.234967D+01 -0.262164D+01 -0.215514D+00  0.900973D+01
      2   0.105793D+02  0.125423D+01  0.589601D-01 -0.322073D+01  0.518358D+01
      3  -0.277664D+02  0.109544D+01  0.256268D+01  0.343624D+01 -0.141933D+02
      4  -0.334363D+01  0.171020D+01  0.188215D+01 -0.136876D+01 -0.191386D+01
      5   0.124438D+02 -0.220506D+01 -0.275832D+01  0.291368D+01  0.897657D+01
      6   0.126262D+02 -0.389524D+01 -0.374634D+01  0.431816D+01  0.480232D+01
               341           342           343           344           345 
      1   0.148261D+01 -0.147498D+02 -0.722287D+00  0.185476D+01  0.502940D+01
      2   0.881750D+00 -0.107146D+02  0.634340D-01  0.110141D+01  0.359273D+01
      3  -0.236436D+01  0.254645D+02  0.658853D+00 -0.295617D+01 -0.862212D+01
      4  -0.180885D+01  0.269502D+01  0.255155D+01  0.183244D+01  0.203480D+01
      5   0.260848D+01 -0.121738D+02  0.139336D+01  0.311750D+01  0.183115D+01
      6   0.418193D+01 -0.629597D+01  0.346672D+01  0.114781D+01 -0.704310D+00
               346           347           348           349           350 
      1  -0.118207D+01 -0.161400D+02 -0.194654D+02  0.287026D+00 -0.122716D+02
      2  -0.306872D+01  0.682086D+00 -0.556923D+01 -0.467587D+00 -0.181119D+01
      3   0.425080D+01  0.154579D+02  0.250346D+02  0.180561D+00  0.140828D+02
      4   0.449982D+01  0.971688D+01  0.985831D+01  0.294562D+01  0.372662D+01
      5   0.770293D+01  0.111008D+02  0.159105D+02  0.282165D+01  0.686781D+01
      6   0.548624D+01  0.222796D+02  0.251594D+02  0.239937D+01  0.158878D+02
               351           352           353           354           355 
      1  -0.205977D+02  0.285932D+02 -0.132801D+02 -0.798295D+00 -0.183057D+02
      2  -0.548352D+01 -0.421767D+00 -0.797637D+01  0.170241D+01 -0.137193D+02
      3   0.260812D+02 -0.281714D+02  0.212565D+02 -0.904115D+00  0.320249D+02
      4   0.565655D+01 -0.376087D+02  0.354299D+02 -0.299769D+01  0.530476D+02
      5   0.903625D+01  0.431036D+00 -0.423999D+01  0.465152D+01  0.116459D+01
      6   0.207224D+02 -0.212957D+01  0.895113D+00 -0.952769D+00 -0.934860D+00
               356           357           358           359           360 
      1   0.500879D+01  0.293927D+01  0.876427D+01 -0.352291D+01 -0.289431D+01
      2   0.334599D+02 -0.339214D+01  0.187540D+01 -0.840133D+01  0.399975D+01
      3  -0.384686D+02  0.452867D+00 -0.106397D+02  0.119242D+02 -0.110544D+01
      4  -0.664198D+02  0.104460D+01 -0.177957D+02  0.189553D+02 -0.885503D+01
      5   0.424509D+01 -0.738003D+01  0.585635D+01 -0.944427D+01  0.494243D+01
      6  -0.102602D+01  0.630917D+01 -0.377079D+01  0.881158D+01 -0.280361D+01
               361           362           363           364           365 
      1  -0.138122D+02 -0.759158D+01 -0.832783D+01 -0.716714D+01 -0.694896D+01
      2   0.873942D+01  0.386034D+01  0.430992D+01  0.115082D+01  0.957659D+01
      3   0.507278D+01  0.373124D+01  0.401791D+01  0.601632D+01 -0.262762D+01
      4   0.193599D+01  0.231841D+01 -0.130193D+01  0.100743D+02 -0.123509D+02
      5  -0.253983D+00 -0.284360D+01 -0.189556D+01  0.715783D+00 -0.525176D+01
      6   0.267749D+01  0.441590D+01  0.557913D+01  0.812052D+00  0.857285D+01
               366           367           368           369           370 
      1  -0.727182D+01 -0.137858D+02 -0.137711D+02 -0.161319D+02  0.699381D+02
      2   0.576731D+01  0.898040D+01  0.683338D+01  0.236985D+01 -0.407257D+02
      3   0.150452D+01  0.480538D+01  0.693777D+01  0.137620D+02 -0.292125D+02
      4  -0.561807D+01  0.103372D+01 -0.620276D+01 -0.885215D+01 -0.359627D+02
      5  -0.505736D+01  0.508311D+01 -0.101072D+02 -0.172095D+02 -0.509819D+02
      6   0.876932D+01  0.218481D+00  0.132548D+02  0.184421D+02  0.118635D+02
               371           372           373           374           375 
      1  -0.204017D+02 -0.305844D+02 -0.276753D+02  0.128681D+02  0.140712D+02
      2   0.111673D+02  0.213634D+02  0.147070D+02 -0.528919D+01 -0.897535D+01
      3   0.923437D+01  0.922102D+01  0.129684D+02 -0.757893D+01 -0.509583D+01
      4   0.201311D+02  0.211523D+02  0.290628D+02 -0.239173D+02 -0.200299D+02
      5   0.201231D+02  0.364079D+02  0.272561D+02 -0.194885D+02 -0.195471D+02
      6  -0.631835D+01 -0.799637D+01 -0.106306D+02  0.893524D+01  0.101438D+02
               376           377           378           379           380 
      1  -0.273010D+02  0.994921D+01  0.212726D+02 -0.174006D+02  0.564651D+01
      2   0.218938D+02 -0.746225D+01 -0.202039D+02  0.768784D+01  0.155380D+00
      3   0.540718D+01 -0.248696D+01 -0.106871D+01  0.971272D+01 -0.580189D+01
      4   0.206767D+02 -0.136548D+02 -0.181116D+02  0.534864D+01 -0.397139D+01
      5   0.425006D+02 -0.166528D+02 -0.396897D+02 -0.413145D+01  0.276738D+01
      6  -0.104272D+02  0.801170D+01  0.101823D+02 -0.260813D+01  0.869390D+00
               381           382           383           384           385 
      1  -0.802937D+01  0.155602D+02 -0.864632D+01  0.999862D+01 -0.123742D+02
      2   0.101901D+01 -0.761714D+01  0.177178D+01  0.229548D+00  0.576855D+01
      3   0.701036D+01 -0.794302D+01  0.687454D+01 -0.102282D+02  0.660569D+01
      4   0.390482D+01 -0.182008D+01  0.139851D+02 -0.999621D+01  0.417465D+01
      5  -0.125471D+01  0.235284D+01 -0.872542D+01  0.154708D+02  0.622560D+01
      6  -0.944525D+00  0.103660D+01 -0.646018D+01  0.527609D+01 -0.209656D+01
               386           387           388           389           390 
      1   0.824169D+01 -0.798215D+01  0.120812D+03  0.385093D+02 -0.127910D+02
      2   0.423487D+00 -0.743882D+01 -0.574239D+02 -0.166169D+02  0.641827D+01
      3  -0.866518D+01  0.154210D+02 -0.633885D+02 -0.218924D+02  0.637276D+01
      4  -0.859562D+01  0.783332D+01  0.473711D+02  0.270201D+02 -0.785412D+01
      5   0.789042D+01 -0.236849D+02 -0.147685D+02 -0.709841D+01  0.126262D+02
      6   0.551849D+01 -0.440722D+01 -0.476607D+01 -0.159660D+01  0.157273D+01
               391           392           393           394           395 
      1   0.616965D+02  0.321119D+02 -0.988191D+01 -0.309966D+02 -0.134473D+02
      2  -0.259192D+02 -0.111583D+02  0.443702D+01  0.152666D+02  0.642865D+01
      3  -0.357773D+02 -0.209536D+02  0.544489D+01  0.157300D+02  0.701865D+01
      4   0.444486D+02  0.313902D+02 -0.426911D+01 -0.168251D+02 -0.737517D+01
      5  -0.117383D+02 -0.381088D+01  0.628193D+01  0.225277D+02  0.657354D+01
      6  -0.292996D+01 -0.264618D+01  0.295214D+01  0.409802D+01  0.352408D+01
               396           397           398           399           400 
      1   0.160037D+02  0.493001D+02 -0.122884D+02  0.178265D+02 -0.322575D+02
      2  -0.871904D+01 -0.257811D+02  0.611003D+01 -0.104915D+02  0.156860D+02
      3  -0.728464D+01 -0.235190D+02  0.617838D+01 -0.733499D+01  0.165715D+02
      4   0.680062D+01 -0.165362D+02  0.143747D+02 -0.103893D+02  0.304971D+02
      5  -0.101502D+02  0.231245D+02 -0.106737D+02  0.151880D+02 -0.235775D+02
      6  -0.233594D+01 -0.486504D+01  0.248613D+01 -0.280792D+01  0.614103D+01
               401           402           403           404           405 
      1   0.199246D+02 -0.169308D+02  0.351312D+02 -0.141780D+02  0.177684D+02
      2  -0.820196D+01  0.876187D+01 -0.216133D+02  0.901347D+01 -0.140274D+02
      3  -0.117226D+02  0.816896D+01 -0.135178D+02  0.516454D+01 -0.374101D+01
      4  -0.284126D+02  0.163497D+02 -0.192888D+02  0.150361D+02 -0.165714D+02
      5   0.165516D+02 -0.220082D+02  0.296728D+02 -0.166102D+02  0.326337D+02
      6  -0.645265D+01  0.628463D+01 -0.588048D+01  0.563637D+01 -0.620144D+01
               406           407           408           409           410 
      1  -0.199782D+01  0.485321D+01 -0.470134D+01  0.193414D+02 -0.478817D+01
      2   0.308118D+01 -0.310904D+01  0.307849D+01 -0.411465D+01  0.208162D+02
      3  -0.108336D+01 -0.174417D+01  0.162286D+01 -0.152267D+02 -0.160281D+02
      4   0.469665D+01  0.365519D+01 -0.986574D+00  0.207621D+02  0.378707D+02
      5  -0.499623D+01  0.522323D+00  0.196554D+01  0.538938D+01 -0.319253D+01
      6  -0.347627D+01 -0.116753D+01  0.994953D+00  0.286478D+01  0.330553D+00
               411           412           413           414           415 
      1   0.589086D+01 -0.240072D+02  0.358952D+01 -0.132920D+01  0.238426D+02
      2  -0.631436D+01  0.913312D+01 -0.924309D+01  0.294972D+01 -0.167605D+02
      3   0.423496D+00  0.148741D+02  0.565357D+01 -0.162052D+01 -0.708211D+01
      4  -0.357519D+01 -0.383789D+01 -0.137093D+02  0.906306D+01  0.171690D+02
      5   0.795267D+01  0.448575D+01  0.961770D+01 -0.393856D+01  0.280387D+02
      6   0.529034D+01  0.170201D+01  0.419760D+01 -0.143577D+01  0.938347D+01
               416           417           418           419           420 
      1   0.662488D+01  0.130489D+02  0.846621D+01  0.343401D+01  0.327792D+01
      2  -0.380848D+01 -0.952894D+01 -0.285624D+01 -0.956857D-01 -0.193633D+01
      3  -0.281641D+01 -0.351994D+01 -0.560997D+01 -0.333832D+01 -0.134159D+01
      4   0.132884D+02  0.150731D+02  0.204353D+02  0.220635D+02  0.172804D+02
      5   0.150844D+02  0.247990D+02  0.166327D+02  0.182662D+02  0.174163D+02
      6   0.600603D+01  0.751870D+01  0.981295D+01  0.110814D+02  0.127901D+02
               421           422           423 
      1   0.236177D+02  0.556416D+01  0.567479D+01
      2  -0.196610D+02 -0.703752D+01 -0.167471D+02
      3  -0.395678D+01  0.147336D+01  0.110723D+02
      4   0.259190D+02  0.210441D+02  0.288936D+02
      5   0.420091D+02  0.298745D+02  0.549969D+02
      6   0.169452D+02  0.166005D+02  0.221456D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 21:31:35 2021, MaxMem=  5637144576 cpu:          222967.9 elap:           28021.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.46996-101.46890 -10.21014 -10.20947 -10.20732
 Alpha  occ. eigenvalues --  -10.20702 -10.20440 -10.20325 -10.20297 -10.20248
 Alpha  occ. eigenvalues --  -10.20100 -10.20041 -10.19970 -10.19827 -10.19574
 Alpha  occ. eigenvalues --  -10.19545 -10.18894 -10.18773 -10.18472 -10.18442
 Alpha  occ. eigenvalues --  -10.18343 -10.18094  -9.41760  -9.41661  -7.18225
 Alpha  occ. eigenvalues --   -7.18127  -7.18002  -7.17914  -7.17901  -7.17812
 Alpha  occ. eigenvalues --   -2.14466  -1.27856  -1.27750  -1.27743  -0.90443
 Alpha  occ. eigenvalues --   -0.89291  -0.82240  -0.81603  -0.80581  -0.76587
 Alpha  occ. eigenvalues --   -0.76423  -0.76012  -0.75114  -0.72465  -0.71734
 Alpha  occ. eigenvalues --   -0.70739  -0.67840  -0.64201  -0.63333  -0.62186
 Alpha  occ. eigenvalues --   -0.58640  -0.58533  -0.55768  -0.55543  -0.51976
 Alpha  occ. eigenvalues --   -0.51571  -0.51156  -0.48642  -0.46969  -0.46601
 Alpha  occ. eigenvalues --   -0.46430  -0.45367  -0.45024  -0.44857  -0.44130
 Alpha  occ. eigenvalues --   -0.44013  -0.41807  -0.41536  -0.40651  -0.40260
 Alpha  occ. eigenvalues --   -0.40110  -0.39292  -0.39170  -0.38537  -0.37992
 Alpha  occ. eigenvalues --   -0.36959  -0.36942  -0.36361  -0.36225  -0.34290
 Alpha  occ. eigenvalues --   -0.34072  -0.33286  -0.33228  -0.33142  -0.32864
 Alpha  occ. eigenvalues --   -0.32553  -0.32231  -0.31107  -0.30344  -0.29871
 Alpha  occ. eigenvalues --   -0.28876  -0.25788  -0.24902  -0.24449  -0.23577
 Alpha virt. eigenvalues --   -0.07033  -0.02482  -0.02369  -0.01040  -0.00048
 Alpha virt. eigenvalues --    0.00490   0.01039   0.01819   0.01999   0.03040
 Alpha virt. eigenvalues --    0.03269   0.03387   0.03735   0.04102   0.04339
 Alpha virt. eigenvalues --    0.04900   0.05302   0.05456   0.05755   0.06656
 Alpha virt. eigenvalues --    0.06851   0.07503   0.07846   0.07977   0.08654
 Alpha virt. eigenvalues --    0.08959   0.09441   0.10028   0.10181   0.10344
 Alpha virt. eigenvalues --    0.10622   0.11080   0.11427   0.11783   0.12116
 Alpha virt. eigenvalues --    0.12182   0.12821   0.13207   0.13784   0.14036
 Alpha virt. eigenvalues --    0.14266   0.14367   0.15153   0.15302   0.15474
 Alpha virt. eigenvalues --    0.15591   0.16234   0.16380   0.17173   0.17315
 Alpha virt. eigenvalues --    0.17858   0.18066   0.18410   0.18512   0.18944
 Alpha virt. eigenvalues --    0.19092   0.19353   0.19451   0.19883   0.20312
 Alpha virt. eigenvalues --    0.20441   0.20979   0.21270   0.21480   0.21596
 Alpha virt. eigenvalues --    0.21938   0.22515   0.22859   0.23253   0.23612
 Alpha virt. eigenvalues --    0.23994   0.24109   0.24323   0.24515   0.24948
 Alpha virt. eigenvalues --    0.25117   0.25462   0.25911   0.26168   0.26496
 Alpha virt. eigenvalues --    0.26912   0.26975   0.27099   0.27577   0.28115
 Alpha virt. eigenvalues --    0.28426   0.28656   0.28875   0.29564   0.29840
 Alpha virt. eigenvalues --    0.30036   0.30747   0.30998   0.31131   0.31355
 Alpha virt. eigenvalues --    0.31815   0.32098   0.32249   0.32410   0.32668
 Alpha virt. eigenvalues --    0.32710   0.32991   0.33245   0.33361   0.33787
 Alpha virt. eigenvalues --    0.33931   0.33989   0.34256   0.34743   0.34776
 Alpha virt. eigenvalues --    0.35180   0.35345   0.35609   0.35778   0.35872
 Alpha virt. eigenvalues --    0.36317   0.36444   0.36940   0.37099   0.37315
 Alpha virt. eigenvalues --    0.37686   0.37900   0.38200   0.38398   0.38595
 Alpha virt. eigenvalues --    0.39186   0.39289   0.39427   0.39719   0.39796
 Alpha virt. eigenvalues --    0.40062   0.40386   0.40564   0.41196   0.41427
 Alpha virt. eigenvalues --    0.41656   0.41925   0.42230   0.42298   0.42459
 Alpha virt. eigenvalues --    0.42901   0.43076   0.43207   0.43439   0.43688
 Alpha virt. eigenvalues --    0.43878   0.44524   0.45010   0.45141   0.45485
 Alpha virt. eigenvalues --    0.45792   0.45989   0.46169   0.46710   0.46757
 Alpha virt. eigenvalues --    0.47082   0.47097   0.47304   0.47705   0.47752
 Alpha virt. eigenvalues --    0.48057   0.48276   0.48408   0.48747   0.48969
 Alpha virt. eigenvalues --    0.49025   0.49138   0.49647   0.49869   0.50336
 Alpha virt. eigenvalues --    0.50573   0.51013   0.51270   0.51591   0.51807
 Alpha virt. eigenvalues --    0.52019   0.52532   0.52892   0.53107   0.53133
 Alpha virt. eigenvalues --    0.53700   0.53884   0.54450   0.54567   0.54856
 Alpha virt. eigenvalues --    0.54902   0.55543   0.55765   0.55981   0.56242
 Alpha virt. eigenvalues --    0.56597   0.56874   0.56990   0.57175   0.57440
 Alpha virt. eigenvalues --    0.57531   0.58148   0.58617   0.58751   0.59117
 Alpha virt. eigenvalues --    0.59493   0.59807   0.60148   0.60639   0.60960
 Alpha virt. eigenvalues --    0.61527   0.61770   0.62002   0.62455   0.62754
 Alpha virt. eigenvalues --    0.62941   0.63285   0.63590   0.64126   0.64581
 Alpha virt. eigenvalues --    0.64771   0.65241   0.65847   0.66119   0.66391
 Alpha virt. eigenvalues --    0.66817   0.67024   0.67165   0.67789   0.68320
 Alpha virt. eigenvalues --    0.68547   0.69134   0.69290   0.69549   0.70400
 Alpha virt. eigenvalues --    0.70502   0.71108   0.71328   0.71713   0.72113
 Alpha virt. eigenvalues --    0.72772   0.72862   0.73147   0.73663   0.74557
 Alpha virt. eigenvalues --    0.74774   0.74897   0.75819   0.76183   0.76737
 Alpha virt. eigenvalues --    0.77248   0.77751   0.77944   0.78202   0.78454
 Alpha virt. eigenvalues --    0.79243   0.79674   0.79999   0.80354   0.80524
 Alpha virt. eigenvalues --    0.80808   0.81643   0.82378   0.82681   0.83029
 Alpha virt. eigenvalues --    0.83619   0.84355   0.84631   0.85020   0.85312
 Alpha virt. eigenvalues --    0.85890   0.86527   0.87126   0.87285   0.88136
 Alpha virt. eigenvalues --    0.89114   0.89386   0.89922   0.90306   0.90677
 Alpha virt. eigenvalues --    0.91002   0.91819   0.92223   0.92919   0.93171
 Alpha virt. eigenvalues --    0.93783   0.94234   0.94850   0.95726   0.96111
 Alpha virt. eigenvalues --    0.97218   0.97758   0.97930   0.98440   0.98567
 Alpha virt. eigenvalues --    0.98980   0.99433   0.99737   1.00452   1.00733
 Alpha virt. eigenvalues --    1.01694   1.02288   1.02434   1.02912   1.03015
 Alpha virt. eigenvalues --    1.04249   1.04364   1.05032   1.05272   1.05991
 Alpha virt. eigenvalues --    1.06182   1.06706   1.07069   1.07708   1.08171
 Alpha virt. eigenvalues --    1.08471   1.08966   1.09160   1.09950   1.10400
 Alpha virt. eigenvalues --    1.10743   1.11093   1.11668   1.12368   1.12533
 Alpha virt. eigenvalues --    1.12785   1.13252   1.13661   1.14003   1.14270
 Alpha virt. eigenvalues --    1.14707   1.15119   1.15577   1.16383   1.16420
 Alpha virt. eigenvalues --    1.17232   1.17499   1.18297   1.19050   1.19273
 Alpha virt. eigenvalues --    1.19659   1.20217   1.20724   1.21290   1.22035
 Alpha virt. eigenvalues --    1.22517   1.23559   1.23881   1.24219   1.24723
 Alpha virt. eigenvalues --    1.25248   1.25571   1.26045   1.26935   1.27331
 Alpha virt. eigenvalues --    1.27609   1.28311   1.29311   1.29569   1.30750
 Alpha virt. eigenvalues --    1.31406   1.31716   1.32391   1.33474   1.33734
 Alpha virt. eigenvalues --    1.34419   1.35679   1.36423   1.36755   1.37276
 Alpha virt. eigenvalues --    1.38574   1.39521   1.40116   1.40684   1.40942
 Alpha virt. eigenvalues --    1.42001   1.42832   1.43970   1.44220   1.44879
 Alpha virt. eigenvalues --    1.45625   1.45952   1.47107   1.47736   1.48066
 Alpha virt. eigenvalues --    1.50044   1.50878   1.51505   1.52355   1.53264
 Alpha virt. eigenvalues --    1.54112   1.54771   1.55980   1.56913   1.57557
 Alpha virt. eigenvalues --    1.58023   1.59530   1.60774   1.61131   1.61797
 Alpha virt. eigenvalues --    1.62730   1.64045   1.65312   1.66067   1.66788
 Alpha virt. eigenvalues --    1.67076   1.68906   1.69813   1.70855   1.71210
 Alpha virt. eigenvalues --    1.71624   1.71922   1.73158   1.73843   1.74636
 Alpha virt. eigenvalues --    1.74817   1.76459   1.77014   1.77147   1.78392
 Alpha virt. eigenvalues --    1.78895   1.79596   1.80191   1.81904   1.82403
 Alpha virt. eigenvalues --    1.83035   1.83560   1.84306   1.84631   1.85476
 Alpha virt. eigenvalues --    1.86290   1.87003   1.87521   1.87824   1.88815
 Alpha virt. eigenvalues --    1.89347   1.90535   1.90705   1.91665   1.92326
 Alpha virt. eigenvalues --    1.92763   1.93639   1.94081   1.94366   1.94665
 Alpha virt. eigenvalues --    1.95776   1.95930   1.96670   1.97354   1.98417
 Alpha virt. eigenvalues --    1.98618   1.99093   1.99951   2.00515   2.00849
 Alpha virt. eigenvalues --    2.02496   2.03586   2.03859   2.04375   2.04933
 Alpha virt. eigenvalues --    2.06047   2.06263   2.06680   2.07296   2.07534
 Alpha virt. eigenvalues --    2.08982   2.09316   2.10844   2.11190   2.11534
 Alpha virt. eigenvalues --    2.12086   2.12495   2.13218   2.13912   2.14185
 Alpha virt. eigenvalues --    2.14751   2.15359   2.16233   2.16844   2.18221
 Alpha virt. eigenvalues --    2.18918   2.19628   2.19968   2.21316   2.21793
 Alpha virt. eigenvalues --    2.22516   2.24595   2.24910   2.25716   2.25817
 Alpha virt. eigenvalues --    2.26177   2.26784   2.27827   2.28712   2.29986
 Alpha virt. eigenvalues --    2.31200   2.31468   2.32979   2.33379   2.35933
 Alpha virt. eigenvalues --    2.36956   2.37199   2.37816   2.38504   2.38929
 Alpha virt. eigenvalues --    2.40473   2.40912   2.42005   2.43469   2.44571
 Alpha virt. eigenvalues --    2.44981   2.45948   2.46195   2.46654   2.47207
 Alpha virt. eigenvalues --    2.48442   2.48694   2.49506   2.50508   2.51141
 Alpha virt. eigenvalues --    2.51642   2.52163   2.52981   2.54413   2.55082
 Alpha virt. eigenvalues --    2.56292   2.56364   2.56864   2.58327   2.59573
 Alpha virt. eigenvalues --    2.60369   2.61139   2.62290   2.62835   2.64116
 Alpha virt. eigenvalues --    2.65162   2.65786   2.66504   2.68124   2.69690
 Alpha virt. eigenvalues --    2.71109   2.71754   2.73400   2.74400   2.75668
 Alpha virt. eigenvalues --    2.75821   2.76552   2.77483   2.78610   2.80362
 Alpha virt. eigenvalues --    2.82588   2.84249   2.87643   2.89615   2.92073
 Alpha virt. eigenvalues --    2.92918   2.93191   2.95790   2.96403   2.97343
 Alpha virt. eigenvalues --    2.99226   3.00840   3.02438   3.03725   3.05755
 Alpha virt. eigenvalues --    3.06840   3.07841   3.09190   3.11823   3.12768
 Alpha virt. eigenvalues --    3.13064   3.13535   3.14740   3.18105   3.18633
 Alpha virt. eigenvalues --    3.20431   3.20479   3.22164   3.22846   3.23852
 Alpha virt. eigenvalues --    3.24624   3.25005   3.26641   3.30494   3.31388
 Alpha virt. eigenvalues --    3.36542   3.36972   3.49789   3.50264  33.50837
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.952774  -1.594576  -0.482645  -0.038714   0.056820   0.154659
     2  C   -1.594576  14.016624  -1.723473  -0.341864  -0.302020  -0.122406
     3  C   -0.482645  -1.723473  14.094344  -1.368065   0.191483  -0.302673
     4  C   -0.038714  -0.341864  -1.368065   7.265667   0.316348   0.022801
     5  C    0.056820  -0.302020   0.191483   0.316348   4.565079   0.277152
     6  C    0.154659  -0.122406  -0.302673   0.022801   0.277152   4.985490
     7  C   -0.097518   0.468315  -2.393899  -0.486902  -0.006951   0.046684
     8  C    0.033973  -0.346620  -0.054204  -0.004019   0.008626   0.033066
     9  C   -0.326289  -3.018722  -1.311224   0.134085   0.030727   0.155888
    10  C   -0.106399  -0.070934   0.149150  -0.004221   0.001429   0.002120
    11  C   -0.013648  -0.100470  -0.023600  -0.000690  -0.000564   0.007394
    12  C    0.026048  -0.045112   0.064788  -0.006021   0.000200  -0.001797
    13  C    0.011052   0.012995  -0.040417   0.001104   0.000341  -0.001044
    14  C   -0.001867  -0.018596  -0.011406  -0.000242  -0.000139   0.000591
    15  C    0.012293  -0.034395   0.007497  -0.002409   0.000509  -0.000432
    16  C    0.049560   0.003182   0.042075  -0.000307   0.000616  -0.002521
    17  C    0.000883  -0.005654   0.005866  -0.000016  -0.000009   0.000048
    18  C   -0.000013   0.001316  -0.000333   0.000015   0.000002  -0.000004
    19  C   -0.000020  -0.000059   0.000005   0.000005  -0.000001   0.000001
    20  C    0.000258   0.000001   0.000142  -0.000053   0.000020  -0.000017
    21  Zr  -0.094908  -0.305609  -0.118256  -0.032665   0.006347   0.003736
    22  Cl  -0.007043   0.027481  -0.057091   0.062079  -0.020441   0.005026
    23  Cl   0.001732  -0.013936  -0.057528   0.006189  -0.000684   0.000742
    24  H   -0.002094   0.161163  -0.084000   0.006454   0.000139  -0.003436
    25  H   -0.001925  -0.219352  -0.084282  -0.169413   0.001600   0.006923
    26  H   -0.341359   0.354743   0.010430   0.007733   0.007746  -0.151895
    27  H   -0.232621   0.426369   0.168923   0.008239  -0.003739  -0.310469
    28  H    0.222613  -0.069225   0.073654   0.035359   0.026533   0.148685
    29  H    0.002089   0.043457  -0.040870  -0.019141   0.036673   0.132234
    30  H   -0.042053  -0.099779  -0.027516   0.121498   0.199221   0.034462
    31  H    0.033440   0.085944   0.013625   0.008241   0.122808   0.010568
    32  H    0.012606   0.051527   0.192335  -0.299845  -0.029815  -0.023820
    33  H    0.010743   0.085975   0.306434  -0.141108   0.007526  -0.002033
    34  H   -0.070221  -0.056173  -0.044573   0.001584   0.000188   0.000457
    35  H    0.041898   0.201974   0.046340  -0.000949   0.000015  -0.000803
    36  H    0.046642  -0.105330  -0.021272  -0.000267   0.000596   0.003901
    37  H   -0.004414   0.035878  -0.003754  -0.000005  -0.000003  -0.000079
    38  H   -0.076717   0.102275  -0.014588   0.005303  -0.000988  -0.002449
    39  H    0.000397   0.000050   0.001752  -0.000605   0.000032   0.000018
    40  H   -0.000023  -0.000158   0.000259  -0.000004   0.000001   0.000000
    41  H    0.000547   0.001569  -0.000175   0.000020  -0.000005   0.000018
    42  H   -0.000000   0.000025  -0.000001   0.000000  -0.000000   0.000000
    43  H   -0.000015   0.000117  -0.000587   0.000011  -0.000001   0.000000
    44  H   -0.000000   0.000007  -0.000008   0.000000  -0.000000   0.000000
    45  H   -0.000002  -0.000016  -0.000007   0.000000  -0.000000   0.000000
    46  H    0.000019  -0.000202   0.000179   0.000003  -0.000004   0.000001
    47  H    0.000016  -0.000033   0.000094  -0.000002   0.000001  -0.000000
               7          8          9         10         11         12
     1  C   -0.097518   0.033973  -0.326289  -0.106399  -0.013648   0.026048
     2  C    0.468315  -0.346620  -3.018722  -0.070934  -0.100470  -0.045112
     3  C   -2.393899  -0.054204  -1.311224   0.149150  -0.023600   0.064788
     4  C   -0.486902  -0.004019   0.134085  -0.004221  -0.000690  -0.006021
     5  C   -0.006951   0.008626   0.030727   0.001429  -0.000564   0.000200
     6  C    0.046684   0.033066   0.155888   0.002120   0.007394  -0.001797
     7  C   10.389605  -1.273144   0.131555   0.007171  -0.014787   0.007629
     8  C   -1.273144   9.969661  -1.187246  -0.594783   0.086583  -0.014899
     9  C    0.131555  -1.187246  14.655772  -1.389472   0.592591  -0.303389
    10  C    0.007171  -0.594783  -1.389472   7.471485  -0.432184   0.667072
    11  C   -0.014787   0.086583   0.592591  -0.432184   6.930888  -1.059148
    12  C    0.007629  -0.014899  -0.303389   0.667072  -1.059148  15.132620
    13  C    0.000140   0.004417  -0.067594  -0.170665  -0.145149  -3.794361
    14  C   -0.002111   0.021544   0.055098  -0.004364   0.062373  -0.844240
    15  C   -0.007909   0.002405   0.022105  -0.022842   0.022617   0.161350
    16  C    0.001693  -0.010844  -0.019958   0.062509  -0.636872  -1.469699
    17  C    0.003367   0.009914   0.006456   0.059007  -0.087205  -0.168674
    18  C   -0.001366   0.004491  -0.007320   0.001344   0.004909   0.084310
    19  C    0.000220   0.000547   0.000508   0.001043  -0.000031   0.042311
    20  C   -0.000904   0.001469  -0.003149  -0.001089  -0.006433   0.013721
    21  Zr  -0.508047  -0.031272  -0.264718  -0.274452  -0.088411  -0.530940
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    24  H   -0.300740  -1.059441  -0.405501  -0.008831  -0.020201  -0.047368
    25  H   -0.469510  -0.157537   0.024964  -0.008061   0.001096   0.001661
    26  H   -0.018483  -0.018125  -0.006928  -0.006063  -0.007850   0.055198
    27  H    0.013393  -0.023599  -0.347082  -0.018530  -0.030878   0.023855
    28  H   -0.003393  -0.000752  -0.007534  -0.001319  -0.000121  -0.000059
    29  H   -0.002452  -0.001291   0.006445   0.000942   0.000124  -0.000072
    30  H   -0.016630  -0.000595  -0.004594  -0.000045   0.000269  -0.001188
    31  H   -0.002822  -0.001200  -0.005759  -0.000168  -0.000058   0.000073
    32  H   -0.029616   0.015367   0.024380  -0.000118   0.000085  -0.000038
    33  H   -0.026596   0.005246  -0.013671  -0.000002   0.000022   0.000429
    34  H    0.014001   0.161695   0.331088  -0.399149   0.185379  -0.081104
    35  H    0.019420  -0.286586  -0.291649   0.138403  -0.202949   0.003131
    36  H   -0.009201  -0.002918  -0.011036  -0.043550   0.203486  -0.161388
    37  H    0.000219  -0.007011  -0.057300   0.088814  -0.237836   0.190280
    38  H    0.005558  -0.002243  -0.027336  -0.040496   0.046737  -0.475055
    39  H    0.000562   0.000376  -0.001729   0.002492  -0.016623  -0.016739
    40  H   -0.000365  -0.003756   0.003256  -0.007060   0.010838  -0.101882
    41  H   -0.000177   0.023829   0.044945  -0.056819  -0.029342  -0.152904
    42  H   -0.000063  -0.000276  -0.000994  -0.000884  -0.000207  -0.012049
    43  H    0.001101  -0.003822   0.005794   0.000316  -0.000816  -0.029437
    44  H    0.000016   0.000027   0.000053  -0.000057   0.000029  -0.001264
    45  H    0.000025  -0.000131   0.000192   0.000241  -0.000182  -0.019498
    46  H    0.000253  -0.000886   0.000389  -0.000130   0.000021  -0.042114
    47  H   -0.000058   0.000130  -0.000387   0.000005  -0.000455   0.026172
              13         14         15         16         17         18
     1  C    0.011052  -0.001867   0.012293   0.049560   0.000883  -0.000013
     2  C    0.012995  -0.018596  -0.034395   0.003182  -0.005654   0.001316
     3  C   -0.040417  -0.011406   0.007497   0.042075   0.005866  -0.000333
     4  C    0.001104  -0.000242  -0.002409  -0.000307  -0.000016   0.000015
     5  C    0.000341  -0.000139   0.000509   0.000616  -0.000009   0.000002
     6  C   -0.001044   0.000591  -0.000432  -0.002521   0.000048  -0.000004
     7  C    0.000140  -0.002111  -0.007909   0.001693   0.003367  -0.001366
     8  C    0.004417   0.021544   0.002405  -0.010844   0.009914   0.004491
     9  C   -0.067594   0.055098   0.022105  -0.019958   0.006456  -0.007320
    10  C   -0.170665  -0.004364  -0.022842   0.062509   0.059007   0.001344
    11  C   -0.145149   0.062373   0.022617  -0.636872  -0.087205   0.004909
    12  C   -3.794361  -0.844240   0.161350  -1.469699  -0.168674   0.084310
    13  C   14.371315  -1.773190   0.188753  -0.387682  -1.715460   0.037421
    14  C   -1.773190  12.884293  -1.978107   0.182636  -0.612698  -0.276879
    15  C    0.188753  -1.978107  10.626680  -1.325194  -0.073068   0.043182
    16  C   -0.387682   0.182636  -1.325194  10.088998   0.150306   0.015827
    17  C   -1.715460  -0.612698  -0.073068   0.150306   8.210867   0.164493
    18  C    0.037421  -0.276879   0.043182   0.015827   0.164493   4.795622
    19  C   -0.312670   0.186523   0.059358   0.012894   0.036287   0.246291
    20  C   -0.066328  -0.810981  -0.696440  -0.040121  -0.109761   0.064988
    21  Zr   0.182283  -0.500521  -0.581442  -0.039841  -0.130427   0.013753
    22  Cl  -0.026342  -0.034026   0.095298   0.075939   0.003419  -0.000101
    23  Cl  -0.014262   0.044081   0.033969  -0.021290   0.006138  -0.018975
    24  H    0.129267  -0.015404   0.004611   0.000085  -0.081580   0.000752
    25  H   -0.006041   0.002724   0.000071   0.000631   0.001750  -0.000171
    26  H   -0.018186   0.006267  -0.003147   0.016718   0.000504  -0.000000
    27  H    0.002158   0.000647   0.000334  -0.003735  -0.000043  -0.000004
    28  H    0.000002  -0.000004   0.000001  -0.001199  -0.000001   0.000000
    29  H   -0.000059   0.000006   0.000003   0.000531   0.000003  -0.000000
    30  H    0.000158  -0.000254   0.000232   0.000697  -0.000010   0.000000
    31  H    0.000006  -0.000005   0.000030   0.000138   0.000000  -0.000000
    32  H   -0.000077   0.000045  -0.000038  -0.000162   0.000004   0.000000
    33  H   -0.000274   0.000343   0.000022  -0.000704   0.000026  -0.000002
    34  H    0.021523  -0.004696   0.000672  -0.016124  -0.011023   0.000206
    35  H   -0.068873  -0.021756  -0.011849   0.006812   0.064592   0.001481
    36  H    0.116485   0.013118   0.016871  -0.220895  -0.008786  -0.000238
    37  H   -0.031804  -0.022432   0.022422   0.097330  -0.023410   0.000498
    38  H    0.173148  -0.043106  -0.366708  -1.301001  -0.000468  -0.000854
    39  H   -0.161409  -0.183280  -0.340436   0.003351   0.006748   0.002480
    40  H    0.808303  -0.038036   0.012757   0.005918  -0.571019  -0.040417
    41  H    0.037725   0.235755   0.006911  -0.032553  -0.268202  -0.135391
    42  H   -0.019307   0.093127  -0.005726  -0.001377   0.163100   0.172837
    43  H    0.072216  -0.073497   0.000205  -0.001576   0.057227  -0.028038
    44  H    0.063273  -0.034238  -0.001326  -0.001071   0.037525   0.065078
    45  H   -0.116034   0.050799  -0.005846   0.002028  -0.025286   0.012563
    46  H    0.011104   0.305984   0.030876   0.008579  -0.019716  -0.022704
    47  H    0.173076  -0.011468  -0.165738   0.000392   0.023807   0.002061
              19         20         21         22         23         24
     1  C   -0.000020   0.000258  -0.094908  -0.007043   0.001732  -0.002094
     2  C   -0.000059   0.000001  -0.305609   0.027481  -0.013936   0.161163
     3  C    0.000005   0.000142  -0.118256  -0.057091  -0.057528  -0.084000
     4  C    0.000005  -0.000053  -0.032665   0.062079   0.006189   0.006454
     5  C   -0.000001   0.000020   0.006347  -0.020441  -0.000684   0.000139
     6  C    0.000001  -0.000017   0.003736   0.005026   0.000742  -0.003436
     7  C    0.000220  -0.000904  -0.508047   0.017327   0.124658  -0.300740
     8  C    0.000547   0.001469  -0.031272  -0.014932   0.049531  -1.059441
     9  C    0.000508  -0.003149  -0.264718  -0.016153  -0.013162  -0.405501
    10  C    0.001043  -0.001089  -0.274452  -0.000484  -0.007105  -0.008831
    11  C   -0.000031  -0.006433  -0.088411  -0.008850   0.001386  -0.020201
    12  C    0.042311   0.013721  -0.530940  -0.021033  -0.019181  -0.047368
    13  C   -0.312670  -0.066328   0.182283  -0.026342  -0.014262   0.129267
    14  C    0.186523  -0.810981  -0.500521  -0.034026   0.044081  -0.015404
    15  C    0.059358  -0.696440  -0.581442   0.095298   0.033969   0.004611
    16  C    0.012894  -0.040121  -0.039841   0.075939  -0.021290   0.000085
    17  C    0.036287  -0.109761  -0.130427   0.003419   0.006138  -0.081580
    18  C    0.246291   0.064988   0.013753  -0.000101  -0.018975   0.000752
    19  C    4.620554   0.117584  -0.003234   0.000147  -0.006438  -0.001524
    20  C    0.117584   6.615175   0.103392   0.004015   0.011115   0.002756
    21  Zr  -0.003234   0.103392  12.897722  -0.246505  -0.245648   0.261982
    22  Cl   0.000147   0.004015  -0.246505  18.027154  -0.010440  -0.001056
    23  Cl  -0.006438   0.011115  -0.245648  -0.010440  18.028675  -0.053989
    24  H   -0.001524   0.002756   0.261982  -0.001056  -0.053989   3.293641
    25  H    0.000035  -0.000421   0.266856  -0.026184   0.000769  -0.296752
    26  H   -0.000007  -0.000060  -0.106539   0.011752  -0.001765   0.000685
    27  H   -0.000001  -0.000002   0.043953  -0.003431  -0.000207   0.002933
    28  H    0.000000  -0.000000   0.011432  -0.002082  -0.000018   0.000019
    29  H    0.000000  -0.000000   0.003960  -0.000146   0.000006  -0.000032
    30  H   -0.000000   0.000005   0.016859  -0.003892  -0.000063   0.000075
    31  H   -0.000000   0.000000  -0.008948   0.006904   0.000034   0.000025
    32  H    0.000000  -0.000002  -0.004022   0.011962   0.000943  -0.000329
    33  H    0.000000  -0.000014  -0.053896   0.023746  -0.002544   0.000211
    34  H   -0.000002   0.000023   0.050922  -0.000390   0.000350   0.047039
    35  H    0.000727  -0.000008  -0.019828   0.001456  -0.001440  -0.105417
    36  H    0.000123  -0.000101   0.013848  -0.001992   0.001090  -0.006572
    37  H   -0.000265   0.001128   0.058585   0.000131   0.000007   0.002361
    38  H   -0.001852   0.011696   0.272309  -0.062171  -0.000821   0.002051
    39  H    0.010878  -0.150541   0.182965   0.023385  -0.019406  -0.000388
    40  H   -0.009752  -0.000312   0.016465  -0.000039  -0.001520   0.000331
    41  H    0.029374   0.041264  -0.052589  -0.001529  -0.001935  -0.010128
    42  H   -0.089497   0.028041   0.019456  -0.000048  -0.000792   0.000911
    43  H    0.063554  -0.013338  -0.038731  -0.000283   0.027477   0.002056
    44  H    0.139391   0.069190  -0.012388   0.000109   0.004806  -0.000027
    45  H    0.303517   0.016343   0.017270  -0.000204  -0.002192  -0.000055
    46  H    0.038259  -0.102270  -0.030578  -0.006121   0.007207   0.000017
    47  H   -0.091024   0.076991   0.015723   0.002324  -0.003973   0.000026
              25         26         27         28         29         30
     1  C   -0.001925  -0.341359  -0.232621   0.222613   0.002089  -0.042053
     2  C   -0.219352   0.354743   0.426369  -0.069225   0.043457  -0.099779
     3  C   -0.084282   0.010430   0.168923   0.073654  -0.040870  -0.027516
     4  C   -0.169413   0.007733   0.008239   0.035359  -0.019141   0.121498
     5  C    0.001600   0.007746  -0.003739   0.026533   0.036673   0.199221
     6  C    0.006923  -0.151895  -0.310469   0.148685   0.132234   0.034462
     7  C   -0.469510  -0.018483   0.013393  -0.003393  -0.002452  -0.016630
     8  C   -0.157537  -0.018125  -0.023599  -0.000752  -0.001291  -0.000595
     9  C    0.024964  -0.006928  -0.347082  -0.007534   0.006445  -0.004594
    10  C   -0.008061  -0.006063  -0.018530  -0.001319   0.000942  -0.000045
    11  C    0.001096  -0.007850  -0.030878  -0.000121   0.000124   0.000269
    12  C    0.001661   0.055198   0.023855  -0.000059  -0.000072  -0.001188
    13  C   -0.006041  -0.018186   0.002158   0.000002  -0.000059   0.000158
    14  C    0.002724   0.006267   0.000647  -0.000004   0.000006  -0.000254
    15  C    0.000071  -0.003147   0.000334   0.000001   0.000003   0.000232
    16  C    0.000631   0.016718  -0.003735  -0.001199   0.000531   0.000697
    17  C    0.001750   0.000504  -0.000043  -0.000001   0.000003  -0.000010
    18  C   -0.000171  -0.000000  -0.000004   0.000000  -0.000000   0.000000
    19  C    0.000035  -0.000007  -0.000001   0.000000   0.000000  -0.000000
    20  C   -0.000421  -0.000060  -0.000002  -0.000000  -0.000000   0.000005
    21  Zr   0.266856  -0.106539   0.043953   0.011432   0.003960   0.016859
    22  Cl  -0.026184   0.011752  -0.003431  -0.002082  -0.000146  -0.003892
    23  Cl   0.000769  -0.001765  -0.000207  -0.000018   0.000006  -0.000063
    24  H   -0.296752   0.000685   0.002933   0.000019  -0.000032   0.000075
    25  H    2.345741  -0.001399  -0.001167  -0.000059   0.001383   0.001055
    26  H   -0.001399   1.748656  -0.226939  -0.221127   0.097394   0.065769
    27  H   -0.001167  -0.226939   1.773391   0.010413  -0.039625  -0.015284
    28  H   -0.000059  -0.221127   0.010413   1.542352  -0.357036  -0.010117
    29  H    0.001383   0.097394  -0.039625  -0.357036   1.138222   0.020022
    30  H    0.001055   0.065769  -0.015284  -0.010117   0.020022   0.951762
    31  H   -0.000619  -0.000149  -0.002180  -0.080709   0.030016  -0.236139
    32  H    0.006714   0.004870  -0.001698  -0.003363  -0.001836   0.013591
    33  H   -0.034659  -0.000086  -0.000658  -0.007502  -0.002187  -0.060860
    34  H   -0.001820  -0.001168  -0.022310  -0.000168   0.000166   0.000064
    35  H    0.003253   0.004478   0.007657  -0.000025   0.000181  -0.000007
    36  H    0.000380  -0.033154  -0.042941   0.000596  -0.000614  -0.000016
    37  H   -0.000014  -0.002889   0.006724   0.000001  -0.000007  -0.000011
    38  H   -0.000451   0.019014  -0.002202  -0.001686   0.000527   0.001643
    39  H    0.000210   0.001567   0.000081  -0.000001  -0.000000  -0.000108
    40  H    0.000018  -0.000010  -0.000001  -0.000000  -0.000000   0.000000
    41  H    0.000313   0.000012   0.000107   0.000000  -0.000000   0.000000
    42  H    0.000003   0.000000   0.000000   0.000000  -0.000000  -0.000000
    43  H   -0.000284  -0.000002   0.000000   0.000000   0.000000  -0.000000
    44  H   -0.000000   0.000000   0.000000   0.000000   0.000000  -0.000000
    45  H    0.000001  -0.000001  -0.000000  -0.000000   0.000000   0.000000
    46  H   -0.000040  -0.000004   0.000000  -0.000000  -0.000000  -0.000001
    47  H   -0.000002   0.000002   0.000000  -0.000000  -0.000000   0.000000
              31         32         33         34         35         36
     1  C    0.033440   0.012606   0.010743  -0.070221   0.041898   0.046642
     2  C    0.085944   0.051527   0.085975  -0.056173   0.201974  -0.105330
     3  C    0.013625   0.192335   0.306434  -0.044573   0.046340  -0.021272
     4  C    0.008241  -0.299845  -0.141108   0.001584  -0.000949  -0.000267
     5  C    0.122808  -0.029815   0.007526   0.000188   0.000015   0.000596
     6  C    0.010568  -0.023820  -0.002033   0.000457  -0.000803   0.003901
     7  C   -0.002822  -0.029616  -0.026596   0.014001   0.019420  -0.009201
     8  C   -0.001200   0.015367   0.005246   0.161695  -0.286586  -0.002918
     9  C   -0.005759   0.024380  -0.013671   0.331088  -0.291649  -0.011036
    10  C   -0.000168  -0.000118  -0.000002  -0.399149   0.138403  -0.043550
    11  C   -0.000058   0.000085   0.000022   0.185379  -0.202949   0.203486
    12  C    0.000073  -0.000038   0.000429  -0.081104   0.003131  -0.161388
    13  C    0.000006  -0.000077  -0.000274   0.021523  -0.068873   0.116485
    14  C   -0.000005   0.000045   0.000343  -0.004696  -0.021756   0.013118
    15  C    0.000030  -0.000038   0.000022   0.000672  -0.011849   0.016871
    16  C    0.000138  -0.000162  -0.000704  -0.016124   0.006812  -0.220895
    17  C    0.000000   0.000004   0.000026  -0.011023   0.064592  -0.008786
    18  C   -0.000000   0.000000  -0.000002   0.000206   0.001481  -0.000238
    19  C   -0.000000   0.000000   0.000000  -0.000002   0.000727   0.000123
    20  C    0.000000  -0.000002  -0.000014   0.000023  -0.000008  -0.000101
    21  Zr  -0.008948  -0.004022  -0.053896   0.050922  -0.019828   0.013848
    22  Cl   0.006904   0.011962   0.023746  -0.000390   0.001456  -0.001992
    23  Cl   0.000034   0.000943  -0.002544   0.000350  -0.001440   0.001090
    24  H    0.000025  -0.000329   0.000211   0.047039  -0.105417  -0.006572
    25  H   -0.000619   0.006714  -0.034659  -0.001820   0.003253   0.000380
    26  H   -0.000149   0.004870  -0.000086  -0.001168   0.004478  -0.033154
    27  H   -0.002180  -0.001698  -0.000658  -0.022310   0.007657  -0.042941
    28  H   -0.080709  -0.003363  -0.007502  -0.000168  -0.000025   0.000596
    29  H    0.030016  -0.001836  -0.002187   0.000166   0.000181  -0.000614
    30  H   -0.236139   0.013591  -0.060860   0.000064  -0.000007  -0.000016
    31  H    1.367775  -0.076120   0.063923  -0.000014   0.000004  -0.000006
    32  H   -0.076120   1.041382  -0.062029   0.000064  -0.000036   0.000018
    33  H    0.063923  -0.062029   1.016159   0.000011   0.000016  -0.000015
    34  H   -0.000014   0.000064   0.000011   1.936177  -0.656103  -0.029937
    35  H    0.000004  -0.000036   0.000016  -0.656103   2.033646  -0.051595
    36  H   -0.000006   0.000018  -0.000015  -0.029937  -0.051595   1.568221
    37  H    0.000000  -0.000002  -0.000001   0.054776  -0.024228  -0.449870
    38  H    0.000028  -0.000013  -0.000115   0.002596  -0.009511  -0.087226
    39  H   -0.000000   0.000003  -0.000008   0.000003   0.000535   0.001413
    40  H   -0.000000   0.000000   0.000000   0.001856  -0.010484   0.000691
    41  H    0.000000   0.000002   0.000000  -0.001363  -0.010776  -0.001159
    42  H   -0.000000   0.000000  -0.000000   0.000004  -0.002759  -0.000031
    43  H   -0.000000  -0.000000  -0.000001  -0.000021   0.002292   0.000146
    44  H   -0.000000   0.000000  -0.000000   0.000000  -0.000011  -0.000001
    45  H   -0.000000   0.000000   0.000000  -0.000004   0.000072   0.000029
    46  H    0.000000  -0.000000   0.000001  -0.000000  -0.000039   0.000017
    47  H    0.000000  -0.000000  -0.000000   0.000001   0.000023  -0.000037
              37         38         39         40         41         42
     1  C   -0.004414  -0.076717   0.000397  -0.000023   0.000547  -0.000000
     2  C    0.035878   0.102275   0.000050  -0.000158   0.001569   0.000025
     3  C   -0.003754  -0.014588   0.001752   0.000259  -0.000175  -0.000001
     4  C   -0.000005   0.005303  -0.000605  -0.000004   0.000020   0.000000
     5  C   -0.000003  -0.000988   0.000032   0.000001  -0.000005  -0.000000
     6  C   -0.000079  -0.002449   0.000018   0.000000   0.000018   0.000000
     7  C    0.000219   0.005558   0.000562  -0.000365  -0.000177  -0.000063
     8  C   -0.007011  -0.002243   0.000376  -0.003756   0.023829  -0.000276
     9  C   -0.057300  -0.027336  -0.001729   0.003256   0.044945  -0.000994
    10  C    0.088814  -0.040496   0.002492  -0.007060  -0.056819  -0.000884
    11  C   -0.237836   0.046737  -0.016623   0.010838  -0.029342  -0.000207
    12  C    0.190280  -0.475055  -0.016739  -0.101882  -0.152904  -0.012049
    13  C   -0.031804   0.173148  -0.161409   0.808303   0.037725  -0.019307
    14  C   -0.022432  -0.043106  -0.183280  -0.038036   0.235755   0.093127
    15  C    0.022422  -0.366708  -0.340436   0.012757   0.006911  -0.005726
    16  C    0.097330  -1.301001   0.003351   0.005918  -0.032553  -0.001377
    17  C   -0.023410  -0.000468   0.006748  -0.571019  -0.268202   0.163100
    18  C    0.000498  -0.000854   0.002480  -0.040417  -0.135391   0.172837
    19  C   -0.000265  -0.001852   0.010878  -0.009752   0.029374  -0.089497
    20  C    0.001128   0.011696  -0.150541  -0.000312   0.041264   0.028041
    21  Zr   0.058585   0.272309   0.182965   0.016465  -0.052589   0.019456
    22  Cl   0.000131  -0.062171   0.023385  -0.000039  -0.001529  -0.000048
    23  Cl   0.000007  -0.000821  -0.019406  -0.001520  -0.001935  -0.000792
    24  H    0.002361   0.002051  -0.000388   0.000331  -0.010128   0.000911
    25  H   -0.000014  -0.000451   0.000210   0.000018   0.000313   0.000003
    26  H   -0.002889   0.019014   0.001567  -0.000010   0.000012   0.000000
    27  H    0.006724  -0.002202   0.000081  -0.000001   0.000107   0.000000
    28  H    0.000001  -0.001686  -0.000001  -0.000000   0.000000   0.000000
    29  H   -0.000007   0.000527  -0.000000  -0.000000  -0.000000  -0.000000
    30  H   -0.000011   0.001643  -0.000108   0.000000   0.000000  -0.000000
    31  H    0.000000   0.000028  -0.000000  -0.000000   0.000000  -0.000000
    32  H   -0.000002  -0.000013   0.000003   0.000000   0.000002   0.000000
    33  H   -0.000001  -0.000115  -0.000008   0.000000   0.000000  -0.000000
    34  H    0.054776   0.002596   0.000003   0.001856  -0.001363   0.000004
    35  H   -0.024228  -0.009511   0.000535  -0.010484  -0.010776  -0.002759
    36  H   -0.449870  -0.087226   0.001413   0.000691  -0.001159  -0.000031
    37  H    1.574067   0.042739  -0.001590   0.003722   0.009734  -0.000125
    38  H    0.042739   3.591779  -0.303971   0.000684   0.002995   0.000040
    39  H   -0.001590  -0.303971   2.183906  -0.000911  -0.001221  -0.000087
    40  H    0.003722   0.000684  -0.000911   1.159937  -0.170661  -0.077032
    41  H    0.009734   0.002995  -0.001221  -0.170661   1.787086  -0.056375
    42  H   -0.000125   0.000040  -0.000087  -0.077032  -0.056375   1.581037
    43  H    0.000003   0.000118  -0.000680   0.029044   0.053864  -0.363779
    44  H    0.000001   0.000025  -0.000563  -0.005916  -0.007687  -0.060150
    45  H   -0.000020  -0.000025   0.001961   0.009938  -0.001095   0.007976
    46  H    0.000002   0.000002  -0.001645   0.005439  -0.003095  -0.004413
    47  H    0.000059   0.001655  -0.038843   0.001815  -0.001777  -0.002578
              43         44         45         46         47
     1  C   -0.000015  -0.000000  -0.000002   0.000019   0.000016
     2  C    0.000117   0.000007  -0.000016  -0.000202  -0.000033
     3  C   -0.000587  -0.000008  -0.000007   0.000179   0.000094
     4  C    0.000011   0.000000   0.000000   0.000003  -0.000002
     5  C   -0.000001  -0.000000  -0.000000  -0.000004   0.000001
     6  C    0.000000   0.000000   0.000000   0.000001  -0.000000
     7  C    0.001101   0.000016   0.000025   0.000253  -0.000058
     8  C   -0.003822   0.000027  -0.000131  -0.000886   0.000130
     9  C    0.005794   0.000053   0.000192   0.000389  -0.000387
    10  C    0.000316  -0.000057   0.000241  -0.000130   0.000005
    11  C   -0.000816   0.000029  -0.000182   0.000021  -0.000455
    12  C   -0.029437  -0.001264  -0.019498  -0.042114   0.026172
    13  C    0.072216   0.063273  -0.116034   0.011104   0.173076
    14  C   -0.073497  -0.034238   0.050799   0.305984  -0.011468
    15  C    0.000205  -0.001326  -0.005846   0.030876  -0.165738
    16  C   -0.001576  -0.001071   0.002028   0.008579   0.000392
    17  C    0.057227   0.037525  -0.025286  -0.019716   0.023807
    18  C   -0.028038   0.065078   0.012563  -0.022704   0.002061
    19  C    0.063554   0.139391   0.303517   0.038259  -0.091024
    20  C   -0.013338   0.069190   0.016343  -0.102270   0.076991
    21  Zr  -0.038731  -0.012388   0.017270  -0.030578   0.015723
    22  Cl  -0.000283   0.000109  -0.000204  -0.006121   0.002324
    23  Cl   0.027477   0.004806  -0.002192   0.007207  -0.003973
    24  H    0.002056  -0.000027  -0.000055   0.000017   0.000026
    25  H   -0.000284  -0.000000   0.000001  -0.000040  -0.000002
    26  H   -0.000002   0.000000  -0.000001  -0.000004   0.000002
    27  H    0.000000   0.000000  -0.000000   0.000000   0.000000
    28  H    0.000000   0.000000  -0.000000  -0.000000  -0.000000
    29  H    0.000000   0.000000   0.000000  -0.000000  -0.000000
    30  H   -0.000000  -0.000000   0.000000  -0.000001   0.000000
    31  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000
    32  H   -0.000000   0.000000   0.000000  -0.000000  -0.000000
    33  H   -0.000001  -0.000000   0.000000   0.000001  -0.000000
    34  H   -0.000021   0.000000  -0.000004  -0.000000   0.000001
    35  H    0.002292  -0.000011   0.000072  -0.000039   0.000023
    36  H    0.000146  -0.000001   0.000029   0.000017  -0.000037
    37  H    0.000003   0.000001  -0.000020   0.000002   0.000059
    38  H    0.000118   0.000025  -0.000025   0.000002   0.001655
    39  H   -0.000680  -0.000563   0.001961  -0.001645  -0.038843
    40  H    0.029044  -0.005916   0.009938   0.005439   0.001815
    41  H    0.053864  -0.007687  -0.001095  -0.003095  -0.001777
    42  H   -0.363779  -0.060150   0.007976  -0.004413  -0.002578
    43  H    1.168979   0.021576   0.014107   0.019638  -0.006270
    44  H    0.021576   1.260854  -0.233515  -0.042253   0.018129
    45  H    0.014107  -0.233515   1.020415   0.026847  -0.061261
    46  H    0.019638  -0.042253   0.026847   1.078654  -0.171854
    47  H   -0.006270   0.018129  -0.061261  -0.171854   1.225339
 Mulliken charges:
               1
     1  C    0.864022
     2  C   -1.486274
     3  C   -1.102930
     4  C    0.914787
     5  C    0.506585
     6  C    0.893212
     7  C    0.420730
     8  C    0.669233
     9  C   -1.116396
    10  C    1.016732
    11  C    1.008732
    12  C   -1.080197
    13  C   -1.481036
    14  C   -0.828411
    15  C    0.251022
    16  C    0.705284
    17  C    0.900176
    18  C    0.796892
    19  C    0.606240
    20  C    0.823027
    21  Zr   1.864598
    22  Cl  -0.826647
    23  Cl  -0.831591
    24  H   -0.414729
    25  H   -0.187989
    26  H   -0.246205
    27  H   -0.159832
    28  H   -0.304160
    29  H   -0.049016
    30  H    0.091777
    31  H   -0.328686
    32  H    0.157081
    33  H   -0.111870
    34  H   -0.414481
    35  H    0.199271
    36  H    0.302479
    37  H   -0.322413
    38  H   -0.460864
    39  H   -0.184382
    40  H   -0.031916
    41  H   -0.279116
    42  H   -0.368007
    43  H    0.021336
    44  H   -0.279613
    45  H   -0.018951
    46  H   -0.085422
    47  H   -0.012082
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.457986
     2  C   -1.486274
     3  C   -1.102930
     4  C    0.959998
     5  C    0.269677
     6  C    0.540036
     7  C    0.232741
     8  C    0.254504
     9  C   -1.116396
    10  C    0.801523
    11  C    0.988797
    12  C   -1.080197
    13  C   -1.481036
    14  C   -0.828411
    15  C    0.066639
    16  C    0.244420
    17  C    0.589143
    18  C    0.450222
    19  C    0.307677
    20  C    0.725523
    21  Zr   1.864598
    22  Cl  -0.826647
    23  Cl  -0.831591
 Electronic spatial extent (au):  <R**2>=           7216.8601
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2420    Y=              5.1470    Z=             -0.1926  Tot=              5.1562
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -161.9801   YY=           -175.4099   ZZ=           -172.1843
   XY=             -0.0829   XZ=              2.1014   YZ=              0.1317
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.8780   YY=             -5.5518   ZZ=             -2.3262
   XY=             -0.0829   XZ=              2.1014   YZ=              0.1317
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.2693  YYY=              7.8462  ZZZ=             -0.3018  XYY=             -1.7554
  XXY=             -8.4615  XXZ=             -0.3024  XZZ=              1.8637  YZZ=             -7.8495
  YYZ=              1.5581  XYZ=            -21.9421
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5953.1541 YYYY=          -2376.5028 ZZZZ=          -1635.8641 XXXY=             -6.6800
 XXXZ=            -19.8919 YYYX=              1.9719 YYYZ=             -5.1276 ZZZX=            -28.0213
 ZZZY=              4.6090 XXYY=          -1403.5539 XXZZ=          -1301.3661 YYZZ=           -683.6665
 XXYZ=             -1.2991 YYXZ=             17.5337 ZZXY=              0.7067
 N-N= 2.554040273114D+03 E-N=-9.181945393420D+03  KE= 1.700027866711D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 21:31:37 2021, MaxMem=  5637144576 cpu:               8.3 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 9.50660282D-02 1.97034318D+00-7.55367483D-02
 Polarizability= 3.19823662D+02-3.23465241D-01 2.57041464D+02
                -3.75546137D+00 4.33822230D-01 2.38012479D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.0529    2.0623       -0.2392   -0.2409
 2     -2.0529   -2.0623       -0.1997   -0.2097      -34.3914  -34.3863
 3      0.2392    0.2409       44.1898   44.1875        0.2043    0.2097
 4      0.1997    0.2097       -0.0000    0.0000        0.2340    0.2409
 5     -9.7984   -9.8012       -0.2340   -0.2409        2.0556    2.0623
 6     -0.2043   -0.2097       -2.0556   -2.0623        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.1868   -6.1868       -0.7226   -0.7226
 2      0.6292    0.6292       -0.0000    0.0000       -0.7226   -0.7226
 3      0.6292    0.6292       -6.1868   -6.1868       -0.0000    0.0000
 4     -6.1868   -6.1868       -0.6292   -0.6292     -103.1588 -103.1588
 5      0.7226    0.7226      132.5624  132.5624        0.6292    0.6292
 6    -29.4036  -29.4036       -0.7226   -0.7226        6.1868    6.1868
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4055    0.0000       -8.4456   -8.2491        1.2579    0.9635
 2      8.3462    8.2491        1.0426    0.8390      137.4909  137.5450
 3     -1.3526   -0.9635     -176.9031 -176.7499       -1.3656   -0.8390
 4     -0.7024   -0.8390       -0.0844    0.0000       -0.8729   -0.9635
 5     39.3839   39.2049        0.8904    0.9635       -8.1132   -8.2491
 6      1.0400    0.8390        8.3213    8.2491        0.1986    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1390    0.0000       31.0201   31.3105        0.0255    1.3880
 2    -30.1209  -31.3105       -4.7560   -6.1298       23.9915   24.4723
 3     -2.2261   -1.3880       43.8963   43.3137        5.2814    6.1298
 4      5.9427    6.1298       -1.0379    0.0000       -0.9460   -1.3880
 5    -66.7376  -67.7860        0.8698    1.3880       30.3823   31.3105
 6     -5.6233   -6.1298      -30.6033  -31.3105        0.7676    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     13.1532   12.4758      -20.7454  -20.3349       -1.9250   -2.6806
 2     24.4865   24.4261        1.5620    1.8705       -2.9872   -2.6806
 3     25.1432   24.4261      -20.9958  -20.3349       -7.6209   -8.1508
 4    -22.0128  -22.2053      -11.5958  -11.9504       59.9740   59.8606
 5     -5.7267   -5.4702       32.1593   31.8665       11.4832   11.9504
 6    -91.4429  -91.7270        4.9605    5.4702       22.3449   22.2053
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.6994   -1.0378   -0.0020   -0.0015   -0.0006    6.1767
 Low frequencies ---   23.2735   76.3588   89.1063
 Diagonal vibrational polarizability:
       38.1015767      24.1925073      30.5330862
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.2438                76.3374                89.1042
 Red. masses --      5.5315                 4.1758                 5.6688
 Frc consts  --      0.0018                 0.0143                 0.0265
 IR Inten    --      0.4954                 0.1583                 0.9502
 RamAct Fr= 1--      0.0561                 1.3059                 1.6128
  Dep-P Fr= 1--      0.7481                 0.4705                 0.7044
  Dep-U Fr= 1--      0.8559                 0.6399                 0.8266
 Alpha2 Fr= 1--      0.0000                 0.0074                 0.0013
 Beta2  Fr= 1--      0.0080                 0.1393                 0.2222
 AlphaG Fr= 1--     -0.0000                -0.0030                -0.0027
 Gamma2 Fr= 1--      0.0634                 0.7345                -0.3523
 Delta2 Fr= 1--      0.0127                 0.0106                 0.1787
 Raman1 Fr= 1--       0.224                  5.223                  6.451
 ROA1   Fr= 1--       6.494                 70.856                -28.105
 CID1   Fr= 1--      28.963                 13.565                 -4.357
 Raman2 Fr= 1--       0.096                  1.671                  2.666
 ROA2   Fr= 1--       1.420                 17.544                 -9.886
 CID2   Fr= 1--      14.799                 10.497                 -3.708
 Raman3 Fr= 1--       0.192                  3.343                  5.333
 ROA3   Fr= 1--       6.494                 70.856                -28.105
 CID3   Fr= 1--      33.839                 21.198                 -5.271
 RC180  Fr= 1--       0.712                  0.280                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.02    -0.03   0.07   0.02     0.01  -0.13  -0.09
     2   6     0.01   0.01  -0.01    -0.01   0.00  -0.00     0.03  -0.05  -0.03
     3   6     0.05  -0.00  -0.06     0.04   0.00  -0.03     0.02  -0.03   0.01
     4   6     0.04   0.02  -0.14     0.07   0.06  -0.05     0.01  -0.06   0.03
     5   6    -0.05   0.04  -0.18     0.07   0.14  -0.03     0.05  -0.11   0.03
     6   6    -0.04   0.05  -0.13     0.00   0.14   0.02     0.02  -0.12  -0.05
     7   6     0.09  -0.05  -0.03     0.05  -0.04  -0.02     0.04   0.02   0.03
     8   6     0.08  -0.06   0.05     0.01  -0.07   0.00     0.06   0.03   0.01
     9   6     0.02  -0.02   0.05    -0.02  -0.04   0.01     0.05  -0.01  -0.02
    10   6    -0.02  -0.03   0.12    -0.03  -0.05   0.00     0.03  -0.01   0.00
    11   6    -0.02   0.02   0.11     0.03  -0.06  -0.02    -0.06  -0.00   0.03
    12   6     0.02   0.02   0.05     0.02  -0.06  -0.01    -0.05  -0.01   0.05
    13   6     0.01  -0.01  -0.01     0.01  -0.01   0.02    -0.05  -0.04   0.04
    14   6     0.05  -0.00  -0.05    -0.04  -0.01   0.05    -0.01  -0.04   0.03
    15   6     0.09   0.04  -0.02    -0.05  -0.07   0.05    -0.01  -0.01   0.03
    16   6     0.08   0.05   0.05    -0.02  -0.10   0.01    -0.04   0.01   0.04
    17   6    -0.04  -0.04  -0.03     0.03   0.08  -0.01    -0.09  -0.04   0.00
    18   6    -0.08  -0.05  -0.13    -0.09   0.19  -0.05    -0.19   0.01  -0.12
    19   6    -0.00  -0.03  -0.18    -0.08   0.20  -0.07    -0.08   0.00  -0.18
    20   6     0.05  -0.02  -0.11    -0.09   0.07   0.06    -0.01  -0.06   0.00
    21  40     0.01  -0.00   0.03     0.00  -0.06   0.01     0.00   0.01   0.04
    22  17    -0.07  -0.11   0.10     0.07  -0.00  -0.00     0.06   0.18  -0.13
    23  17    -0.06   0.11   0.08    -0.02  -0.05  -0.01     0.04   0.04   0.10
    24   1     0.10  -0.09   0.08     0.02  -0.10   0.02     0.08   0.06   0.03
    25   1     0.13  -0.07  -0.05     0.08  -0.06  -0.03     0.04   0.04   0.05
    26   1    -0.09   0.13  -0.01    -0.01   0.07   0.01     0.00  -0.23  -0.06
    27   1    -0.02   0.06   0.04    -0.09   0.07   0.04     0.01  -0.13  -0.19
    28   1    -0.09   0.07  -0.15    -0.00   0.19   0.04     0.02  -0.16  -0.07
    29   1     0.02   0.01  -0.14    -0.03   0.14   0.04     0.01  -0.06  -0.07
    30   1    -0.11   0.08  -0.15     0.09   0.14  -0.04     0.09  -0.16   0.03
    31   1    -0.05   0.03  -0.26     0.08   0.18  -0.03     0.06  -0.09   0.09
    32   1     0.09   0.02  -0.18     0.06   0.06  -0.04    -0.00  -0.07   0.04
    33   1     0.05   0.01  -0.13     0.12   0.06  -0.09    -0.02  -0.06   0.05
    34   1    -0.04  -0.01   0.15    -0.04  -0.04   0.03     0.02  -0.00  -0.03
    35   1    -0.03  -0.09   0.12    -0.06  -0.06  -0.03     0.06  -0.03   0.05
    36   1    -0.02   0.08   0.12     0.06  -0.09   0.01    -0.10   0.01  -0.01
    37   1    -0.04   0.01   0.15     0.04  -0.06  -0.06    -0.08  -0.01   0.09
    38   1     0.10   0.08   0.08    -0.02  -0.14  -0.00    -0.04   0.03   0.05
    39   1     0.13   0.06  -0.04    -0.09  -0.09   0.07     0.01  -0.01   0.03
    40   1    -0.00  -0.02  -0.02     0.14   0.13  -0.03    -0.01   0.01   0.00
    41   1    -0.08  -0.09   0.01     0.03   0.02   0.01    -0.14  -0.11   0.06
    42   1    -0.12  -0.05  -0.18    -0.08   0.27  -0.12    -0.24   0.05  -0.22
    43   1    -0.14  -0.06  -0.10    -0.20   0.17  -0.01    -0.30  -0.00  -0.06
    44   1    -0.02  -0.03  -0.24    -0.17   0.30  -0.11    -0.15   0.05  -0.26
    45   1     0.05  -0.02  -0.20     0.05   0.21  -0.14     0.04  -0.01  -0.26
    46   1     0.03  -0.01  -0.09    -0.17   0.12   0.16    -0.04   0.02   0.12
    47   1     0.11  -0.04  -0.13    -0.06   0.00   0.08     0.09  -0.17   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     97.3379               119.7026               121.2910
 Red. masses --      6.0833                 4.4473                 4.8150
 Frc consts  --      0.0340                 0.0375                 0.0417
 IR Inten    --      1.0036                 0.6046                 0.3251
 RamAct Fr= 1--      1.6592                 0.9066                 2.1914
  Dep-P Fr= 1--      0.6758                 0.3582                 0.7035
  Dep-U Fr= 1--      0.8065                 0.5275                 0.8260
 Alpha2 Fr= 1--      0.0022                 0.0077                 0.0018
 Beta2  Fr= 1--      0.2230                 0.0797                 0.3017
 AlphaG Fr= 1--      0.0010                -0.0039                 0.0031
 Gamma2 Fr= 1--     -0.3046                -0.0306                -0.9469
 Delta2 Fr= 1--     -0.0413                -0.0518                 0.0975
 Raman1 Fr= 1--       6.637                  3.626                  8.766
 ROA1   Fr= 1--     -30.562                 -4.601                -87.788
 CID1   Fr= 1--      -4.605                 -1.269                -10.015
 Raman2 Fr= 1--       2.676                  0.956                  3.620
 ROA2   Fr= 1--      -6.980                 -0.321                -23.506
 CID2   Fr= 1--      -2.608                 -0.335                 -6.493
 Raman3 Fr= 1--       5.353                  1.913                  7.240
 ROA3   Fr= 1--     -30.562                 -4.601                -87.788
 CID3   Fr= 1--      -5.709                 -2.405                -12.125
 RC180  Fr= 1--       0.613                  0.055                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.05    -0.07  -0.00  -0.00     0.07   0.12   0.14
     2   6     0.03  -0.04  -0.03    -0.03  -0.03   0.01    -0.00   0.03   0.04
     3   6     0.02  -0.05  -0.05    -0.00  -0.03  -0.01    -0.03   0.00   0.00
     4   6     0.04  -0.03  -0.02    -0.00  -0.01  -0.06    -0.09  -0.05  -0.07
     5   6     0.17   0.10   0.10    -0.03   0.02  -0.06    -0.09   0.01  -0.04
     6   6     0.12   0.11   0.22    -0.06   0.02  -0.05     0.03   0.01   0.13
     7   6     0.01  -0.06  -0.06     0.02  -0.05   0.01    -0.03   0.00   0.00
     8   6     0.02  -0.06  -0.05     0.01  -0.06   0.04    -0.03   0.01   0.01
     9   6     0.02  -0.05  -0.03    -0.02  -0.05   0.04    -0.01   0.02   0.03
    10   6     0.02  -0.05  -0.02    -0.01  -0.05   0.02    -0.02   0.01  -0.01
    11   6    -0.01  -0.03  -0.01     0.08  -0.03  -0.01     0.03  -0.01  -0.03
    12   6    -0.03  -0.02  -0.01     0.07  -0.02  -0.05     0.02  -0.01  -0.03
    13   6    -0.03  -0.03   0.00     0.02   0.03  -0.09     0.01   0.00  -0.02
    14   6    -0.04  -0.02  -0.01     0.03   0.01  -0.05     0.03  -0.03   0.02
    15   6    -0.06  -0.01  -0.03     0.06  -0.04  -0.00     0.02  -0.03   0.01
    16   6    -0.05  -0.01  -0.03     0.09  -0.06  -0.00     0.01  -0.02  -0.01
    17   6     0.00  -0.06   0.05    -0.03   0.10  -0.17    -0.04   0.07  -0.11
    18   6     0.01  -0.07   0.06     0.12   0.03   0.01    -0.03   0.09  -0.07
    19   6    -0.01  -0.06   0.07     0.07  -0.09   0.12     0.02  -0.03  -0.02
    20   6    -0.02  -0.03   0.02     0.04  -0.01  -0.02     0.06  -0.06   0.08
    21  40    -0.00  -0.01  -0.06    -0.04  -0.01   0.05     0.01   0.00  -0.00
    22  17    -0.02  -0.02  -0.07     0.06   0.13  -0.06    -0.14  -0.03  -0.11
    23  17    -0.10   0.22   0.11    -0.09   0.02   0.05     0.15  -0.04   0.10
    24   1     0.01  -0.08  -0.05     0.02  -0.07   0.07    -0.04  -0.01  -0.01
    25   1     0.01  -0.08  -0.08     0.04  -0.06   0.00    -0.05  -0.01  -0.02
    26   1     0.22  -0.01   0.01    -0.09  -0.00   0.01     0.10   0.29   0.09
    27   1     0.02   0.02   0.06    -0.09  -0.01   0.01     0.14   0.11   0.30
    28   1     0.23   0.20   0.32    -0.09   0.04  -0.06     0.08   0.07   0.18
    29   1    -0.04   0.07   0.32    -0.04   0.02  -0.06     0.03  -0.13   0.19
    30   1     0.29   0.14   0.00    -0.03   0.02  -0.06    -0.16   0.15  -0.07
    31   1     0.19   0.13   0.18    -0.02   0.04  -0.08    -0.13  -0.08  -0.13
    32   1    -0.05  -0.14   0.06     0.02  -0.03  -0.07    -0.06  -0.16  -0.08
    33   1     0.03  -0.02  -0.17     0.01  -0.01  -0.08    -0.16  -0.03  -0.15
    34   1     0.02  -0.05  -0.02    -0.02  -0.04   0.08    -0.04   0.02   0.00
    35   1     0.03  -0.05   0.00    -0.05  -0.06  -0.02    -0.05   0.01  -0.04
    36   1    -0.02  -0.05  -0.02     0.13  -0.06   0.04     0.06  -0.04  -0.00
    37   1     0.00  -0.02   0.01     0.12  -0.02  -0.06     0.05  -0.00  -0.07
    38   1    -0.07   0.00  -0.04     0.12  -0.11   0.04     0.02  -0.04  -0.01
    39   1    -0.07   0.00  -0.04     0.08  -0.07   0.03     0.02  -0.05   0.04
    40   1    -0.01  -0.05   0.08    -0.16  -0.04  -0.32    -0.04   0.02  -0.21
    41   1     0.03  -0.08   0.04    -0.05   0.33  -0.25    -0.09   0.16  -0.11
    42   1     0.02  -0.07   0.07     0.13  -0.01   0.05    -0.06   0.12  -0.13
    43   1     0.02  -0.06   0.05     0.26   0.12   0.02    -0.04   0.15   0.01
    44   1     0.01  -0.08   0.09     0.18  -0.17   0.25     0.03  -0.02   0.01
    45   1    -0.05  -0.06   0.10    -0.12  -0.16   0.16     0.02  -0.10  -0.10
    46   1     0.00  -0.05  -0.01     0.10  -0.06  -0.11     0.09   0.02   0.18
    47   1    -0.05  -0.01   0.02    -0.02   0.06  -0.02     0.09  -0.18   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    124.6770               138.1219               142.4039
 Red. masses --      4.4030                 4.1200                 4.5371
 Frc consts  --      0.0403                 0.0463                 0.0542
 IR Inten    --      0.1981                 0.6535                 0.1824
 RamAct Fr= 1--      4.2368                 3.1792                 2.0691
  Dep-P Fr= 1--      0.3934                 0.6407                 0.7125
  Dep-U Fr= 1--      0.5646                 0.7810                 0.8321
 Alpha2 Fr= 1--      0.0321                 0.0063                 0.0013
 Beta2  Fr= 1--      0.3987                 0.4138                 0.2870
 AlphaG Fr= 1--      0.0285                 0.0019                -0.0016
 Gamma2 Fr= 1--      1.7418                 1.3835                -1.3074
 Delta2 Fr= 1--     -0.1753                -0.1308                 0.3420
 Raman1 Fr= 1--      16.947                 12.717                  8.277
 ROA1   Fr= 1--     161.598                128.629               -114.564
 CID1   Fr= 1--       9.535                 10.115                -13.842
 Raman2 Fr= 1--       4.784                  4.966                  3.444
 ROA2   Fr= 1--      43.205                 34.250                -34.113
 CID2   Fr= 1--       9.031                  6.897                 -9.906
 Raman3 Fr= 1--       9.568                  9.932                  6.887
 ROA3   Fr= 1--     161.598                128.629               -114.564
 CID3   Fr= 1--      16.889                 12.951                -16.635
 RC180  Fr= 1--       0.129                  0.562                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.05     0.10   0.08   0.12     0.15   0.12   0.08
     2   6    -0.07   0.02   0.06     0.06   0.03   0.07     0.08   0.06   0.00
     3   6    -0.06   0.03   0.06     0.03   0.01   0.04     0.03   0.04  -0.02
     4   6    -0.06   0.04   0.05     0.01  -0.01   0.01    -0.01  -0.02  -0.08
     5   6    -0.16  -0.03  -0.03    -0.11  -0.09  -0.08    -0.03  -0.01  -0.09
     6   6    -0.11  -0.03  -0.07     0.04  -0.10  -0.05     0.10  -0.01   0.03
     7   6    -0.07   0.01   0.05    -0.01  -0.03  -0.00     0.03   0.05  -0.02
     8   6    -0.09   0.00   0.03    -0.02  -0.04  -0.00     0.05   0.07  -0.02
     9   6    -0.08   0.01   0.05     0.01  -0.01   0.03     0.07   0.06  -0.02
    10   6    -0.07   0.00   0.01    -0.03  -0.03   0.02     0.06   0.04  -0.09
    11   6     0.03  -0.03  -0.03    -0.03  -0.03   0.02     0.04  -0.06  -0.08
    12   6     0.06  -0.04  -0.02    -0.05  -0.02   0.01     0.02  -0.07  -0.00
    13   6     0.09  -0.06   0.03    -0.07  -0.00   0.00     0.01  -0.06   0.01
    14   6     0.04  -0.03   0.00    -0.06  -0.02   0.03    -0.01  -0.04  -0.01
    15   6     0.01  -0.02  -0.03    -0.05  -0.04   0.04    -0.01  -0.07   0.00
    16   6     0.02  -0.03  -0.05    -0.05  -0.03   0.02     0.01  -0.08   0.01
    17   6     0.18  -0.09   0.12    -0.11   0.05  -0.06     0.06  -0.11   0.09
    18   6     0.06  -0.02   0.02    -0.08   0.04   0.01     0.02  -0.11   0.01
    19   6     0.05   0.09  -0.04    -0.07  -0.06   0.07    -0.02   0.01  -0.05
    20   6     0.02   0.01   0.00    -0.04  -0.03   0.07    -0.05  -0.00  -0.07
    21  40     0.04  -0.03  -0.02     0.06   0.02  -0.04    -0.03   0.01   0.07
    22  17     0.04   0.01  -0.10     0.10  -0.00   0.03    -0.04   0.08  -0.01
    23  17    -0.02   0.10   0.06    -0.04   0.08  -0.08    -0.10  -0.05  -0.05
    24   1    -0.11  -0.03   0.01    -0.05  -0.06  -0.04     0.06   0.10  -0.01
    25   1    -0.08   0.01   0.04    -0.03  -0.05  -0.04     0.01   0.06  -0.01
    26   1    -0.16   0.11   0.06     0.02   0.30   0.11     0.14   0.28   0.05
    27   1    -0.03   0.03   0.10     0.24   0.07   0.29     0.23   0.10   0.22
    28   1    -0.18  -0.07  -0.13    -0.03  -0.14  -0.11     0.12   0.02   0.05
    29   1    -0.01  -0.03  -0.12     0.19  -0.18  -0.10     0.14  -0.12   0.06
    30   1    -0.24  -0.04   0.03    -0.26  -0.03  -0.01    -0.12   0.10  -0.08
    31   1    -0.17  -0.05  -0.10    -0.15  -0.20  -0.21    -0.08  -0.11  -0.17
    32   1    -0.00   0.12  -0.00     0.09   0.05  -0.06     0.02  -0.09  -0.10
    33   1    -0.03   0.02   0.14     0.00  -0.02   0.11    -0.08   0.00  -0.11
    34   1    -0.08   0.00   0.04    -0.06  -0.00   0.02     0.06   0.05  -0.15
    35   1    -0.11   0.01  -0.05    -0.04  -0.06   0.02     0.07   0.09  -0.09
    36   1     0.08  -0.05   0.02    -0.03  -0.04   0.03     0.04  -0.12  -0.10
    37   1     0.04  -0.04  -0.10    -0.02  -0.02   0.02     0.06  -0.05  -0.13
    38   1    -0.01  -0.03  -0.07    -0.06  -0.04   0.01     0.02  -0.10   0.02
    39   1    -0.02  -0.01  -0.05    -0.05  -0.05   0.06    -0.01  -0.07   0.02
    40   1     0.28   0.03   0.26    -0.14  -0.02  -0.16     0.10  -0.04   0.20
    41   1     0.23  -0.29   0.16    -0.14   0.15  -0.09     0.10  -0.24   0.11
    42   1     0.09   0.02   0.02    -0.09   0.06  -0.02     0.04  -0.11   0.05
    43   1    -0.03  -0.10   0.00    -0.05   0.11   0.06    -0.02  -0.18  -0.05
    44   1    -0.03   0.17  -0.11    -0.01  -0.09   0.13    -0.06   0.05  -0.10
    45   1     0.17   0.16  -0.04    -0.14  -0.12   0.05     0.05   0.09  -0.01
    46   1    -0.04   0.02   0.04    -0.01  -0.01   0.08    -0.10  -0.05  -0.12
    47   1     0.02   0.01   0.01    -0.05  -0.06   0.08    -0.05   0.07  -0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    163.8621               182.1986               188.5696
 Red. masses --      7.5629                 3.4434                 5.4978
 Frc consts  --      0.1196                 0.0673                 0.1152
 IR Inten    --      2.1674                 0.8370                 1.6961
 RamAct Fr= 1--      1.4082                 7.3586                 3.7562
  Dep-P Fr= 1--      0.2901                 0.2206                 0.4733
  Dep-U Fr= 1--      0.4497                 0.3615                 0.6425
 Alpha2 Fr= 1--      0.0149                 0.0946                 0.0209
 Beta2  Fr= 1--      0.1056                 0.4434                 0.4022
 AlphaG Fr= 1--     -0.0030                -0.1656                 0.1409
 Gamma2 Fr= 1--      0.6079                 2.3031                 0.1040
 Delta2 Fr= 1--      0.2114                 0.3331                -0.0004
 Raman1 Fr= 1--       5.633                 29.434                 15.025
 ROA1   Fr= 1--      65.123                231.756                  9.973
 CID1   Fr= 1--      11.561                  7.874                  0.664
 Raman2 Fr= 1--       1.267                  5.321                  4.827
 ROA2   Fr= 1--      12.898                 52.610                  2.499
 CID2   Fr= 1--      10.182                  9.888                  0.518
 Raman3 Fr= 1--       2.533                 10.641                  9.653
 ROA3   Fr= 1--      65.123                231.756                  9.973
 CID3   Fr= 1--      25.706                 21.779                  1.033
 RC180  Fr= 1--      -0.101                 -0.277                  0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.05     0.06   0.04   0.06    -0.08  -0.08  -0.01
     2   6    -0.04  -0.03  -0.04     0.05   0.01   0.04    -0.02  -0.04   0.05
     3   6    -0.06  -0.07  -0.08     0.06   0.02   0.05     0.03  -0.04   0.03
     4   6    -0.13  -0.14  -0.17     0.14   0.10   0.13    -0.00  -0.06  -0.04
     5   6    -0.07  -0.04  -0.10     0.02  -0.02   0.02     0.03   0.01   0.00
     6   6     0.01  -0.03   0.09     0.05  -0.03  -0.09    -0.05   0.02   0.03
     7   6    -0.06  -0.07  -0.08     0.02  -0.03  -0.01     0.08  -0.05   0.07
     8   6    -0.04  -0.05  -0.05    -0.01  -0.06  -0.02     0.08  -0.06   0.13
     9   6    -0.03  -0.03  -0.03     0.00  -0.04  -0.00    -0.01  -0.06   0.10
    10   6    -0.00  -0.01  -0.01    -0.01  -0.04   0.01    -0.09  -0.11   0.04
    11   6     0.00   0.02  -0.02     0.03  -0.03  -0.01     0.12  -0.14  -0.04
    12   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.02     0.01  -0.08  -0.07
    13   6    -0.01   0.02  -0.03    -0.04   0.02  -0.04    -0.01  -0.04  -0.05
    14   6    -0.01   0.02  -0.03    -0.06   0.05  -0.07    -0.06  -0.03  -0.03
    15   6    -0.02   0.05  -0.06    -0.05   0.03  -0.06    -0.08  -0.07  -0.04
    16   6    -0.04   0.06  -0.06    -0.02   0.00  -0.03    -0.06  -0.09  -0.09
    17   6     0.05  -0.03   0.06    -0.03  -0.01  -0.02     0.03  -0.05  -0.00
    18   6     0.02  -0.03   0.00     0.03  -0.06   0.01     0.01  -0.04  -0.01
    19   6     0.01   0.06  -0.04    -0.05   0.03  -0.00    -0.04   0.01  -0.01
    20   6    -0.01   0.02  -0.02    -0.10   0.08  -0.12    -0.07  -0.01  -0.01
    21  40    -0.07   0.02  -0.03    -0.03  -0.01  -0.01     0.03   0.11   0.00
    22  17     0.21   0.07   0.20    -0.03   0.01  -0.01    -0.08   0.04   0.06
    23  17     0.12  -0.03   0.13     0.08  -0.02   0.10     0.09   0.05  -0.08
    24   1    -0.04  -0.06  -0.05    -0.04  -0.08  -0.05     0.09  -0.08   0.16
    25   1    -0.09  -0.10  -0.12     0.03  -0.04  -0.02     0.10  -0.07   0.05
    26   1     0.09   0.13   0.00    -0.01   0.17   0.06    -0.08  -0.20   0.01
    27   1     0.07   0.02   0.15     0.13   0.04   0.15    -0.15  -0.07  -0.12
    28   1     0.09   0.05   0.17    -0.06  -0.10  -0.19    -0.04   0.06   0.05
    29   1    -0.05  -0.16   0.18     0.19   0.01  -0.19    -0.11   0.04   0.05
    30   1    -0.07   0.09  -0.16    -0.07  -0.08   0.11     0.09   0.00  -0.03
    31   1    -0.10  -0.10  -0.12     0.02  -0.04  -0.04     0.06   0.07   0.04
    32   1    -0.13  -0.30  -0.15     0.17   0.33   0.08    -0.01  -0.17  -0.02
    33   1    -0.23  -0.10  -0.30     0.25   0.06   0.32    -0.05  -0.04  -0.13
    34   1     0.01  -0.03   0.00    -0.03  -0.03   0.04    -0.20  -0.03   0.15
    35   1     0.00  -0.01  -0.01    -0.04  -0.07  -0.02    -0.21  -0.21  -0.08
    36   1     0.01   0.02  -0.01     0.07  -0.07   0.02     0.25  -0.28   0.07
    37   1     0.02   0.04  -0.00     0.08   0.01  -0.04     0.25  -0.05  -0.20
    38   1    -0.04   0.07  -0.07    -0.01  -0.01  -0.02    -0.07  -0.13  -0.11
    39   1    -0.03   0.06  -0.08    -0.07   0.04  -0.07    -0.11  -0.09  -0.02
    40   1     0.08   0.03   0.17    -0.09  -0.03  -0.00     0.05  -0.02   0.05
    41   1     0.10  -0.15   0.08    -0.02   0.02  -0.04     0.05  -0.11   0.00
    42   1     0.04  -0.03   0.03     0.08  -0.12   0.12     0.04  -0.02   0.03
    43   1    -0.00  -0.08  -0.04     0.11  -0.10  -0.09     0.00  -0.07  -0.04
    44   1    -0.04   0.09  -0.09    -0.04   0.02  -0.00    -0.06   0.03  -0.01
    45   1     0.08   0.10  -0.03    -0.08   0.09   0.08    -0.02   0.03   0.00
    46   1    -0.02   0.04   0.01    -0.12  -0.00  -0.22    -0.06  -0.01  -0.00
    47   1    -0.01   0.00  -0.01    -0.14   0.19  -0.15    -0.08  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    197.3630               236.3403               261.6173
 Red. masses --      3.4164                 2.9980                 2.2388
 Frc consts  --      0.0784                 0.0987                 0.0903
 IR Inten    --      1.0224                 0.0490                 0.1704
 RamAct Fr= 1--      2.2799                 0.7678                 1.5613
  Dep-P Fr= 1--      0.3960                 0.4164                 0.2124
  Dep-U Fr= 1--      0.5673                 0.5880                 0.3504
 Alpha2 Fr= 1--      0.0171                 0.0054                 0.0205
 Beta2  Fr= 1--      0.2156                 0.0753                 0.0912
 AlphaG Fr= 1--      0.0362                 0.0125                 0.0181
 Gamma2 Fr= 1--     -1.7966                 0.9949                 0.1449
 Delta2 Fr= 1--      0.0682                -0.0342                 0.0153
 Raman1 Fr= 1--       9.120                  3.071                  6.245
 ROA1   Fr= 1--    -170.291                 94.413                 14.403
 CID1   Fr= 1--     -18.673                 30.740                  2.306
 Raman2 Fr= 1--       2.587                  0.903                  1.094
 ROA2   Fr= 1--     -43.664                 24.150                  3.356
 CID2   Fr= 1--     -16.879                 26.744                  3.067
 Raman3 Fr= 1--       5.174                  1.806                  2.188
 ROA3   Fr= 1--    -170.291                 94.413                 14.403
 CID3   Fr= 1--     -32.913                 52.278                  6.582
 RC180  Fr= 1--       0.135                  0.176                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.06   0.01   0.01    -0.06   0.00   0.05
     2   6    -0.03   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.07   0.04
     3   6    -0.04   0.01  -0.01    -0.03  -0.03   0.01     0.00  -0.06   0.04
     4   6    -0.10  -0.06  -0.06    -0.00   0.02   0.00     0.04  -0.00   0.02
     5   6    -0.04   0.01  -0.01    -0.03   0.05  -0.01    -0.04   0.04  -0.01
     6   6    -0.03   0.01   0.06    -0.05   0.05  -0.02    -0.05   0.05   0.00
     7   6     0.00   0.06   0.04    -0.05  -0.01   0.00    -0.02  -0.04   0.03
     8   6     0.02   0.08   0.03    -0.03   0.01   0.01    -0.01  -0.02   0.02
     9   6     0.01   0.05   0.01     0.02   0.01   0.03     0.02  -0.04   0.01
    10   6     0.00   0.04  -0.00     0.17   0.05  -0.06     0.20   0.02  -0.06
    11   6    -0.03  -0.00   0.02     0.24  -0.04  -0.07    -0.10   0.00   0.03
    12   6     0.00  -0.03   0.04     0.03   0.02   0.05    -0.02  -0.04   0.00
    13   6    -0.05   0.01  -0.02    -0.01   0.05   0.06    -0.01  -0.05  -0.03
    14   6    -0.07   0.04  -0.04    -0.02   0.06   0.03    -0.01  -0.05  -0.02
    15   6    -0.01  -0.02   0.03    -0.05   0.06   0.01     0.00  -0.03  -0.02
    16   6     0.03  -0.05   0.07    -0.03   0.03   0.02    -0.01  -0.02  -0.01
    17   6    -0.08   0.01  -0.04    -0.08  -0.01   0.04     0.03  -0.00  -0.03
    18   6     0.03  -0.06   0.03    -0.10  -0.05  -0.02     0.03   0.02  -0.00
    19   6    -0.08   0.05   0.02    -0.05  -0.09  -0.02     0.01   0.02  -0.00
    20   6    -0.15   0.11  -0.16     0.02  -0.01   0.00    -0.02  -0.02  -0.01
    21  40     0.06  -0.03   0.02     0.00  -0.01  -0.01    -0.00   0.02  -0.00
    22  17     0.04  -0.04  -0.04     0.02  -0.02  -0.00    -0.02   0.02   0.01
    23  17     0.05   0.02   0.02     0.00   0.00   0.01     0.02   0.02  -0.01
    24   1     0.04   0.10   0.05    -0.03   0.02   0.00    -0.01  -0.01   0.02
    25   1     0.01   0.08   0.06    -0.07  -0.01   0.00    -0.05  -0.04   0.03
    26   1     0.01  -0.08  -0.03    -0.07  -0.01   0.02    -0.07   0.03   0.05
    27   1    -0.07  -0.01  -0.08    -0.10   0.01   0.00    -0.11   0.00   0.10
    28   1     0.04   0.05   0.13    -0.07   0.05  -0.03    -0.07   0.06  -0.01
    29   1    -0.12  -0.02   0.12    -0.04   0.07  -0.03    -0.03   0.04  -0.00
    30   1    -0.00   0.05  -0.06    -0.04   0.05  -0.00    -0.09   0.06   0.01
    31   1    -0.04   0.00   0.01    -0.03   0.06  -0.03    -0.04   0.05  -0.09
    32   1    -0.10  -0.19  -0.05     0.00   0.05  -0.01     0.07   0.04  -0.01
    33   1    -0.18  -0.03  -0.17     0.05   0.01  -0.00     0.11  -0.02   0.02
    34   1     0.01   0.04  -0.04     0.27  -0.03  -0.11     0.40  -0.12  -0.32
    35   1     0.02   0.06   0.02     0.16   0.21  -0.11     0.38   0.29   0.09
    36   1    -0.06   0.01  -0.01     0.31  -0.32  -0.05    -0.28   0.19  -0.13
    37   1    -0.07  -0.03   0.02     0.42   0.09  -0.24    -0.25  -0.08   0.24
    38   1     0.06  -0.07   0.10    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    39   1    -0.01  -0.02   0.03    -0.09   0.07  -0.02     0.03  -0.03  -0.02
    40   1    -0.17  -0.06  -0.09    -0.08  -0.01   0.05     0.03  -0.01  -0.05
    41   1    -0.08   0.12  -0.08    -0.13  -0.03   0.09     0.06   0.02  -0.06
    42   1     0.08  -0.14   0.18    -0.13  -0.05  -0.06     0.04   0.02   0.00
    43   1     0.15  -0.11  -0.10    -0.12  -0.03   0.01     0.03   0.01  -0.01
    44   1    -0.05   0.01   0.03     0.00  -0.16  -0.00    -0.02   0.06  -0.00
    45   1    -0.15   0.12   0.14    -0.12  -0.13  -0.02     0.03   0.04  -0.01
    46   1    -0.21  -0.03  -0.33     0.07   0.01   0.00    -0.04  -0.02  -0.00
    47   1    -0.20   0.32  -0.22     0.07  -0.04  -0.01    -0.05  -0.02   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    279.7853               284.9209               310.8992
 Red. masses --      3.3832                 3.1012                 2.2783
 Frc consts  --      0.1560                 0.1483                 0.1298
 IR Inten    --      2.2973                 2.7294                11.1994
 RamAct Fr= 1--     17.5959                 1.3135                 4.2866
  Dep-P Fr= 1--      0.2056                 0.7256                 0.2257
  Dep-U Fr= 1--      0.3411                 0.8410                 0.3683
 Alpha2 Fr= 1--      0.2354                 0.0006                 0.0543
 Beta2  Fr= 1--      1.0003                 0.1841                 0.2631
 AlphaG Fr= 1--     -0.3472                -0.0051                 0.0374
 Gamma2 Fr= 1--     -0.9881                 0.5584                 0.9053
 Delta2 Fr= 1--      0.1029                -0.0514                 0.4496
 Raman1 Fr= 1--      70.384                  5.254                 17.146
 ROA1   Fr= 1--     -91.562                 51.959                101.298
 CID1   Fr= 1--      -1.301                  9.889                  5.908
 Raman2 Fr= 1--      12.004                  2.209                  3.157
 ROA2   Fr= 1--     -24.537                 13.812                 18.131
 CID2   Fr= 1--      -2.044                  6.252                  5.743
 Raman3 Fr= 1--      24.007                  4.419                  6.314
 ROA3   Fr= 1--     -91.562                 51.959                101.298
 CID3   Fr= 1--      -3.814                 11.759                 16.042
 RC180  Fr= 1--      -0.318                  0.682                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.01  -0.02   0.00     0.01  -0.01  -0.02
     2   6     0.01   0.01   0.01    -0.04  -0.08  -0.05    -0.02  -0.01  -0.04
     3   6    -0.04  -0.03  -0.04     0.06  -0.00   0.06    -0.02  -0.00  -0.03
     4   6    -0.02   0.00  -0.01     0.08   0.01   0.03     0.02   0.03   0.03
     5   6     0.06   0.01   0.03    -0.10  -0.00  -0.06    -0.03  -0.01  -0.01
     6   6     0.00   0.00  -0.07    -0.02   0.00   0.11     0.00  -0.01   0.04
     7   6    -0.11  -0.09  -0.11     0.13   0.06   0.12     0.00  -0.00  -0.02
     8   6    -0.09  -0.07  -0.08     0.06  -0.00   0.04     0.01   0.00  -0.01
     9   6    -0.02  -0.01  -0.00    -0.04  -0.08  -0.07    -0.00  -0.00  -0.01
    10   6     0.01   0.00  -0.01    -0.02  -0.06  -0.06     0.00   0.00   0.02
    11   6     0.03   0.01  -0.02     0.01   0.04  -0.07     0.01  -0.01   0.03
    12   6    -0.02   0.02   0.01    -0.06   0.08  -0.05     0.03  -0.02   0.02
    13   6    -0.04   0.05   0.00    -0.04   0.08  -0.01    -0.02   0.01  -0.04
    14   6     0.04  -0.03   0.10     0.03   0.01   0.07    -0.01   0.01  -0.04
    15   6     0.11  -0.12   0.19     0.06  -0.02   0.10     0.08  -0.06   0.06
    16   6     0.07  -0.08   0.13    -0.00   0.03   0.03     0.10  -0.07   0.09
    17   6    -0.06   0.01   0.02    -0.05   0.02   0.03     0.07  -0.03   0.06
    18   6     0.05  -0.09   0.02     0.03  -0.07   0.01    -0.09   0.09  -0.00
    19   6     0.01   0.07  -0.05     0.02   0.04  -0.05    -0.03  -0.08   0.07
    20   6     0.00   0.01   0.02     0.03   0.01   0.02    -0.02   0.02  -0.06
    21  40    -0.01   0.04  -0.01    -0.03  -0.01  -0.02    -0.03   0.01  -0.02
    22  17    -0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    23  17     0.02   0.02  -0.01    -0.00   0.01  -0.02     0.05   0.02  -0.02
    24   1    -0.13  -0.11  -0.12     0.09   0.03   0.07     0.02   0.01   0.01
    25   1    -0.16  -0.14  -0.18     0.20   0.12   0.20     0.02   0.00  -0.02
    26   1    -0.05   0.03   0.02     0.08  -0.01  -0.04     0.05  -0.02  -0.04
    27   1     0.02   0.01   0.01    -0.06  -0.02   0.05    -0.00  -0.01  -0.03
    28   1    -0.07  -0.05  -0.14     0.10   0.11   0.23     0.06   0.02   0.09
    29   1     0.07   0.07  -0.14    -0.14  -0.12   0.24    -0.05  -0.05   0.09
    30   1     0.15  -0.07   0.01    -0.30   0.13   0.00    -0.10   0.02   0.02
    31   1     0.08   0.07   0.13    -0.15  -0.10  -0.28    -0.05  -0.05  -0.07
    32   1    -0.07   0.00   0.03     0.16   0.12  -0.05     0.03   0.16   0.01
    33   1     0.01  -0.00  -0.03     0.12  -0.01   0.14     0.08   0.01   0.13
    34   1     0.02  -0.01   0.00    -0.02  -0.08   0.02     0.00   0.00   0.03
    35   1    -0.00   0.01  -0.02    -0.05  -0.09  -0.08     0.00  -0.01   0.03
    36   1     0.05  -0.05  -0.01     0.02  -0.00  -0.06     0.01   0.01   0.03
    37   1     0.07   0.03  -0.05     0.07   0.10  -0.04    -0.01  -0.03   0.01
    38   1     0.12  -0.13   0.18     0.00   0.02   0.04     0.16  -0.12   0.16
    39   1     0.18  -0.19   0.29     0.08  -0.06   0.15     0.13  -0.09   0.10
    40   1    -0.16  -0.04   0.02    -0.13  -0.00   0.06     0.22   0.13   0.22
    41   1    -0.06   0.07  -0.01    -0.05   0.04   0.02     0.15  -0.27   0.10
    42   1     0.08  -0.21   0.17     0.04  -0.16   0.12    -0.13   0.22  -0.19
    43   1     0.15  -0.17  -0.13     0.10  -0.12  -0.09    -0.24   0.16   0.18
    44   1    -0.10   0.14  -0.18    -0.05   0.08  -0.14     0.11  -0.20   0.20
    45   1     0.17   0.17  -0.05     0.13   0.10  -0.05    -0.25  -0.19   0.09
    46   1    -0.08  -0.00   0.04    -0.01   0.02   0.05     0.01  -0.06  -0.18
    47   1     0.06   0.03  -0.02     0.08   0.00   0.00    -0.07   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    318.6022               326.1832               339.8588
 Red. masses --      2.7877                 3.3146                23.0567
 Frc consts  --      0.1667                 0.2078                 1.5691
 IR Inten    --     21.9093                 9.6275                46.0890
 RamAct Fr= 1--      5.3190                 3.8596                11.2188
  Dep-P Fr= 1--      0.1291                 0.7041                 0.0127
  Dep-U Fr= 1--      0.2287                 0.8263                 0.0251
 Alpha2 Fr= 1--      0.0867                 0.0031                 0.2420
 Beta2  Fr= 1--      0.2028                 0.5316                 0.0469
 AlphaG Fr= 1--      0.0259                 0.0012                -0.2362
 Gamma2 Fr= 1--      1.4493                -0.8021                 0.5221
 Delta2 Fr= 1--      0.1586                 0.3885                 0.2735
 Raman1 Fr= 1--      21.276                 15.439                 44.875
 ROA1   Fr= 1--     144.209                -64.569                 58.878
 CID1   Fr= 1--       6.778                 -4.182                  1.312
 Raman2 Fr= 1--       2.433                  6.379                  0.563
 ROA2   Fr= 1--      33.514                -22.359                 10.343
 CID2   Fr= 1--      13.773                 -3.505                 18.359
 Raman3 Fr= 1--       4.867                 12.758                  1.127
 ROA3   Fr= 1--     144.209                -64.569                 58.878
 CID3   Fr= 1--      29.633                 -5.061                 52.255
 RC180  Fr= 1--      -0.543                  0.653                 -0.950
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.07    -0.02   0.01   0.06    -0.02  -0.04  -0.01
     2   6    -0.00   0.00  -0.04     0.02  -0.04   0.05     0.02  -0.00   0.04
     3   6    -0.02  -0.02  -0.05     0.05  -0.01   0.08     0.00  -0.03  -0.01
     4   6     0.05   0.06   0.03     0.00  -0.07  -0.04     0.05   0.02   0.02
     5   6    -0.09  -0.01  -0.06     0.05   0.02   0.00    -0.03  -0.00  -0.02
     6   6     0.01  -0.00   0.11    -0.01   0.02  -0.05    -0.01   0.00   0.04
     7   6    -0.07  -0.07  -0.11     0.01  -0.02   0.05     0.01  -0.04  -0.00
     8   6    -0.06  -0.05  -0.10    -0.07  -0.07  -0.05     0.09   0.02   0.10
     9   6     0.00  -0.00  -0.03    -0.08  -0.08  -0.08     0.07   0.04   0.10
    10   6    -0.02  -0.01  -0.01    -0.05  -0.06  -0.12     0.04   0.02   0.04
    11   6    -0.00  -0.00  -0.01    -0.06   0.07  -0.12    -0.01  -0.01   0.03
    12   6     0.02  -0.01   0.02    -0.05   0.08  -0.08    -0.03   0.00  -0.06
    13   6     0.03  -0.02   0.03    -0.01   0.07  -0.01    -0.06   0.00  -0.10
    14   6     0.01   0.00   0.01     0.02   0.05   0.02    -0.04  -0.03  -0.04
    15   6    -0.02   0.02  -0.02     0.04   0.01   0.05     0.02  -0.09   0.02
    16   6    -0.01   0.00  -0.01    -0.00   0.04  -0.02    -0.02  -0.04  -0.05
    17   6    -0.01   0.00  -0.01     0.02   0.01   0.07     0.04  -0.03  -0.00
    18   6    -0.00  -0.00  -0.00    -0.07   0.04  -0.01    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03    -0.04   0.00   0.02
    20   6    -0.00   0.01  -0.01     0.01   0.05  -0.07    -0.06  -0.02  -0.00
    21  40     0.07   0.01   0.02     0.06   0.00   0.02     0.03   0.27  -0.06
    22  17    -0.05   0.06   0.04    -0.03   0.03   0.01     0.19  -0.28  -0.19
    23  17    -0.03  -0.03   0.02    -0.03  -0.03   0.03    -0.28  -0.33   0.29
    24   1    -0.11  -0.09  -0.15    -0.13  -0.12  -0.11     0.11   0.00   0.14
    25   1    -0.12  -0.11  -0.16    -0.02  -0.01   0.05    -0.05  -0.09  -0.07
    26   1     0.08  -0.26  -0.06    -0.08   0.08   0.06    -0.00  -0.15   0.01
    27   1    -0.09  -0.05  -0.24    -0.02   0.00   0.13    -0.07  -0.03  -0.10
    28   1     0.17   0.11   0.26    -0.11  -0.01  -0.13     0.03   0.05   0.09
    29   1    -0.17  -0.11   0.26     0.07   0.07  -0.13    -0.07  -0.04   0.09
    30   1    -0.28   0.12   0.00     0.14  -0.03  -0.03    -0.13   0.04   0.02
    31   1    -0.15  -0.12  -0.24     0.08   0.08   0.06    -0.05  -0.04  -0.11
    32   1     0.10   0.33  -0.03     0.01  -0.30  -0.03     0.07   0.19  -0.00
    33   1     0.19   0.01   0.25    -0.12  -0.03  -0.22     0.14  -0.01   0.14
    34   1    -0.05   0.01   0.03    -0.02  -0.09  -0.05     0.05   0.03  -0.05
    35   1    -0.04  -0.05  -0.01    -0.06  -0.06  -0.14     0.08   0.07   0.06
    36   1     0.00  -0.00  -0.00    -0.09   0.11  -0.15    -0.03   0.02   0.02
    37   1    -0.01  -0.01  -0.02    -0.07   0.07  -0.03    -0.01  -0.01   0.07
    38   1    -0.03   0.03  -0.03    -0.03   0.07  -0.05    -0.01  -0.08  -0.04
    39   1    -0.05   0.03  -0.04     0.04  -0.01   0.07     0.10  -0.15   0.10
    40   1    -0.02  -0.03  -0.07     0.10   0.12   0.21     0.10   0.06   0.13
    41   1    -0.05   0.06  -0.01     0.05  -0.17   0.12     0.14  -0.18  -0.01
    42   1     0.00  -0.00   0.00    -0.11   0.10  -0.12     0.01   0.07  -0.02
    43   1     0.01   0.00  -0.01    -0.15   0.09   0.10    -0.05   0.01   0.01
    44   1     0.00  -0.01   0.00     0.10  -0.17   0.11    -0.02  -0.01   0.06
    45   1    -0.01   0.00   0.01    -0.18  -0.13   0.06    -0.08  -0.02   0.02
    46   1    -0.01  -0.00  -0.03    -0.00  -0.05  -0.21    -0.03  -0.01  -0.00
    47   1     0.00   0.04  -0.02     0.00   0.20  -0.13    -0.08  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    343.9353               362.3437               366.6866
 Red. masses --     15.1032                 2.9050                 2.8677
 Frc consts  --      1.0526                 0.2247                 0.2272
 IR Inten    --     34.9847                20.0314                22.6028
 RamAct Fr= 1--      0.6403                 5.8007                 6.5332
  Dep-P Fr= 1--      0.4749                 0.4651                 0.4273
  Dep-U Fr= 1--      0.6440                 0.6349                 0.5987
 Alpha2 Fr= 1--      0.0035                 0.0334                 0.0438
 Beta2  Fr= 1--      0.0687                 0.6138                 0.6519
 AlphaG Fr= 1--     -0.0096                 0.1056                 0.1099
 Gamma2 Fr= 1--      2.6359                -1.0077                 1.0937
 Delta2 Fr= 1--     -0.4791                -0.9102                -0.1321
 Raman1 Fr= 1--       2.561                 23.203                 26.133
 ROA1   Fr= 1--     237.714               -125.865                100.765
 CID1   Fr= 1--      92.819                 -5.425                  3.856
 Raman2 Fr= 1--       0.825                  7.366                  7.823
 ROA2   Fr= 1--      67.094                -16.903                 27.305
 CID2   Fr= 1--      81.366                 -2.295                  3.490
 Raman3 Fr= 1--       1.649                 14.731                 15.647
 ROA3   Fr= 1--     237.714               -125.865                100.765
 CID3   Fr= 1--     144.139                 -8.544                  6.440
 RC180  Fr= 1--       0.288                  0.270                  0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.01  -0.10  -0.04     0.00   0.01   0.00
     2   6     0.05  -0.00   0.05     0.13   0.10   0.17    -0.01  -0.01  -0.01
     3   6    -0.00  -0.04  -0.02     0.12   0.10   0.17     0.00   0.00   0.00
     4   6     0.06   0.02  -0.02     0.01  -0.01  -0.05    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.06    -0.02   0.04  -0.07     0.00  -0.00   0.01
     6   6     0.04   0.01   0.03     0.06   0.03   0.00    -0.00  -0.00  -0.00
     7   6    -0.10  -0.12  -0.11    -0.01   0.02   0.05     0.02   0.01   0.01
     8   6    -0.10  -0.10  -0.11    -0.09  -0.03  -0.06     0.01   0.00   0.00
     9   6    -0.03  -0.04  -0.06     0.03   0.04   0.03    -0.00  -0.01  -0.00
    10   6    -0.05  -0.04  -0.09     0.01   0.03   0.02    -0.00  -0.01  -0.00
    11   6    -0.06   0.04  -0.09     0.01  -0.01   0.02     0.01  -0.02  -0.00
    12   6    -0.03   0.04  -0.07     0.01  -0.01   0.02     0.02  -0.03   0.04
    13   6     0.05  -0.01   0.05    -0.00  -0.01  -0.00     0.13  -0.11   0.18
    14   6     0.01   0.02  -0.00     0.00  -0.01  -0.00     0.12  -0.10   0.17
    15   6    -0.07   0.08  -0.09     0.02  -0.01   0.01     0.01  -0.02   0.06
    16   6    -0.10   0.09  -0.12     0.01  -0.01   0.02    -0.08   0.04  -0.05
    17   6     0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.02
    18   6     0.01   0.01  -0.01     0.00   0.00   0.00    -0.01   0.05  -0.01
    19   6     0.03  -0.02  -0.01     0.00   0.00   0.00     0.03  -0.02   0.00
    20   6     0.02   0.01  -0.03    -0.01  -0.01   0.00    -0.02   0.02  -0.12
    21  40    -0.08   0.06   0.24    -0.03  -0.01  -0.03    -0.02   0.02  -0.03
    22  17     0.18  -0.25  -0.19    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    23  17     0.13   0.14  -0.14     0.01   0.00   0.01     0.00  -0.00   0.00
    24   1    -0.16  -0.15  -0.16    -0.16  -0.06  -0.13     0.01   0.01   0.01
    25   1    -0.16  -0.17  -0.17    -0.07   0.01   0.02     0.02   0.02   0.01
    26   1     0.01  -0.22   0.04    -0.03  -0.53   0.07     0.00   0.05  -0.01
    27   1    -0.06  -0.05  -0.14    -0.12  -0.07  -0.45     0.02   0.01   0.04
    28   1     0.06   0.07   0.07     0.06   0.06   0.01    -0.01  -0.01  -0.01
    29   1    -0.01  -0.04   0.08     0.02   0.03   0.03     0.00   0.00  -0.01
    30   1    -0.12   0.08  -0.02    -0.12   0.16  -0.06     0.01  -0.01   0.01
    31   1    -0.04  -0.06  -0.16    -0.07  -0.06  -0.18     0.00   0.00   0.01
    32   1     0.08   0.16  -0.04     0.11  -0.29  -0.10    -0.00  -0.01   0.01
    33   1     0.14   0.00   0.07    -0.18   0.04  -0.21    -0.01   0.00  -0.00
    34   1    -0.07  -0.04  -0.03    -0.01   0.04   0.00    -0.01  -0.00   0.00
    35   1    -0.08  -0.08  -0.11     0.00   0.02   0.02    -0.01  -0.01  -0.01
    36   1    -0.09   0.09  -0.11     0.01  -0.02   0.02     0.01  -0.04  -0.00
    37   1    -0.08   0.03  -0.02     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    38   1    -0.14   0.13  -0.17     0.02  -0.01   0.03    -0.13   0.08  -0.12
    39   1    -0.10   0.10  -0.11     0.03  -0.01   0.01    -0.04   0.00   0.02
    40   1     0.03  -0.00  -0.03     0.01  -0.00  -0.01    -0.00  -0.11  -0.30
    41   1    -0.03   0.04   0.03     0.01  -0.00  -0.01    -0.16   0.25  -0.01
    42   1    -0.01   0.02  -0.05     0.00   0.01  -0.00    -0.05   0.08  -0.10
    43   1    -0.01   0.03   0.02    -0.00   0.01   0.01    -0.04   0.10   0.07
    44   1     0.04  -0.03   0.01    -0.00   0.01   0.00     0.06  -0.04   0.03
    45   1     0.00  -0.03  -0.00     0.01   0.01   0.00    -0.03  -0.02   0.04
    46   1     0.01  -0.03  -0.08    -0.01  -0.01  -0.00    -0.23  -0.25  -0.41
    47   1     0.02   0.05  -0.05    -0.01   0.00   0.00     0.00   0.43  -0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --    413.4526               424.4619               429.5910
 Red. masses --      4.1794                 3.0073                 2.9845
 Frc consts  --      0.4209                 0.3192                 0.3245
 IR Inten    --      4.1315                 0.2912                 0.8004
 RamAct Fr= 1--      8.1582                 1.4509                 1.2500
  Dep-P Fr= 1--      0.4998                 0.5842                 0.5074
  Dep-U Fr= 1--      0.6665                 0.7375                 0.6732
 Alpha2 Fr= 1--      0.0403                 0.0045                 0.0060
 Beta2  Fr= 1--      0.9062                 0.1783                 0.1402
 AlphaG Fr= 1--      0.6112                 0.0464                 0.0391
 Gamma2 Fr= 1--     -5.0683                -0.7640                 0.8987
 Delta2 Fr= 1--     -0.3866                -0.1422                 0.0535
 Raman1 Fr= 1--      32.633                  5.804                  5.000
 ROA1   Fr= 1--    -498.930                -77.899                 87.989
 CID1   Fr= 1--     -15.289                -13.422                 17.598
 Raman2 Fr= 1--      10.874                  2.140                  1.683
 ROA2   Fr= 1--    -118.547                -17.199                 21.141
 CID2   Fr= 1--     -10.902                 -8.036                 12.562
 Raman3 Fr= 1--      21.749                  4.280                  3.366
 ROA3   Fr= 1--    -498.930                -77.899                 87.989
 CID3   Fr= 1--     -22.941                -18.199                 26.142
 RC180  Fr= 1--       0.333                  0.475                  0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.03     0.01  -0.03   0.02    -0.05   0.05  -0.03
     2   6     0.03   0.05   0.10     0.00  -0.02   0.02    -0.04   0.14   0.01
     3   6    -0.08  -0.06  -0.06    -0.04  -0.05  -0.01     0.09   0.15  -0.05
     4   6     0.01   0.04  -0.02     0.01   0.02  -0.02    -0.01   0.01   0.00
     5   6     0.02  -0.00  -0.03     0.01   0.02  -0.02     0.03  -0.11   0.02
     6   6     0.03  -0.00   0.01     0.03   0.01  -0.01    -0.10  -0.10   0.07
     7   6    -0.07  -0.07  -0.04    -0.05  -0.01   0.01     0.14  -0.02  -0.08
     8   6     0.09   0.06   0.13     0.02   0.04   0.04    -0.02  -0.13   0.01
     9   6     0.09   0.11   0.16     0.02   0.02   0.02    -0.10   0.00   0.06
    10   6    -0.00   0.06   0.03    -0.01  -0.00  -0.02     0.05   0.07  -0.01
    11   6    -0.02   0.05  -0.02     0.03  -0.04  -0.03     0.01  -0.00  -0.02
    12   6    -0.10   0.09  -0.14    -0.13   0.04   0.00    -0.05   0.02  -0.01
    13   6    -0.06   0.11  -0.08    -0.10  -0.08  -0.06    -0.05  -0.01  -0.03
    14   6     0.00  -0.01   0.10     0.05  -0.11  -0.09     0.00  -0.04  -0.01
    15   6    -0.02  -0.08   0.11     0.16   0.00  -0.06     0.02  -0.01  -0.00
    16   6    -0.13   0.02  -0.11     0.00   0.13   0.01    -0.03   0.03  -0.01
    17   6     0.05   0.07   0.02    -0.05  -0.06  -0.01     0.00   0.00  -0.00
    18   6     0.05   0.01  -0.08    -0.07   0.05   0.15     0.00   0.02   0.01
    19   6     0.02  -0.05  -0.04     0.06   0.09   0.07     0.02   0.01   0.00
    20   6    -0.00  -0.04  -0.06    -0.02  -0.01  -0.00    -0.01  -0.03  -0.01
    21  40     0.01  -0.05  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.01
    22  17    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    23  17     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.14   0.07   0.19     0.02   0.06   0.04    -0.01  -0.30   0.06
    25   1    -0.10  -0.10  -0.09    -0.08  -0.01   0.01     0.27  -0.09  -0.15
    26   1    -0.02  -0.20   0.07     0.02  -0.07   0.02    -0.08   0.07  -0.02
    27   1    -0.02  -0.04  -0.13    -0.02  -0.03  -0.01     0.12   0.05  -0.07
    28   1     0.01   0.03   0.01    -0.01   0.02  -0.04     0.04  -0.01   0.19
    29   1     0.04  -0.03   0.02     0.06   0.02  -0.03    -0.22  -0.17   0.17
    30   1     0.02   0.02  -0.04    -0.00   0.04  -0.03     0.15  -0.21  -0.01
    31   1     0.01  -0.03  -0.02    -0.00  -0.01  -0.03     0.09   0.02   0.13
    32   1    -0.01   0.23  -0.03     0.00   0.09  -0.02    -0.00  -0.02   0.00
    33   1     0.16  -0.01   0.10     0.09  -0.01   0.01    -0.17   0.05   0.09
    34   1    -0.06   0.12  -0.04    -0.05   0.03  -0.03     0.25  -0.08  -0.18
    35   1    -0.01   0.07   0.01    -0.04  -0.02  -0.05     0.14   0.36   0.02
    36   1    -0.01   0.08   0.00     0.11  -0.29   0.00     0.04  -0.11  -0.01
    37   1     0.01   0.09   0.05     0.23   0.11  -0.16     0.09   0.05  -0.08
    38   1    -0.19  -0.01  -0.19     0.02   0.28   0.06    -0.03   0.06  -0.01
    39   1    -0.04  -0.14   0.18     0.32   0.04  -0.09     0.06  -0.01  -0.00
    40   1     0.11   0.20   0.23    -0.09  -0.11  -0.06     0.01   0.02   0.02
    41   1     0.13  -0.17   0.07     0.04   0.04  -0.12     0.06  -0.02  -0.03
    42   1     0.04  -0.05  -0.05    -0.11   0.17  -0.02    -0.01   0.03  -0.02
    43   1     0.09   0.01  -0.11    -0.18   0.11   0.28    -0.01   0.03   0.04
    44   1     0.06  -0.05   0.07    -0.06   0.16  -0.10    -0.00   0.04  -0.01
    45   1    -0.05  -0.11  -0.05     0.23   0.19   0.07     0.06   0.02  -0.00
    46   1    -0.08  -0.14  -0.17    -0.08  -0.07  -0.07    -0.03  -0.05  -0.04
    47   1     0.05   0.13  -0.15    -0.17   0.09   0.02    -0.04   0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    449.0353               456.1609               473.0541
 Red. masses --      3.5708                 4.2706                 3.7287
 Frc consts  --      0.4242                 0.5236                 0.4916
 IR Inten    --      1.4325                 1.9354                10.8301
 RamAct Fr= 1--      1.8250                 2.5231                 0.4594
  Dep-P Fr= 1--      0.3167                 0.5676                 0.7463
  Dep-U Fr= 1--      0.4811                 0.7242                 0.8547
 Alpha2 Fr= 1--      0.0178                 0.0087                 0.0000
 Beta2  Fr= 1--      0.1463                 0.3045                 0.0654
 AlphaG Fr= 1--     -0.1058                 0.0745                -0.0040
 Gamma2 Fr= 1--     -1.0109                 1.6226                -0.7495
 Delta2 Fr= 1--     -1.0006                 0.5231                -0.5585
 Raman1 Fr= 1--       7.300                 10.092                  1.838
 ROA1   Fr= 1--    -129.066                172.512                -89.823
 CID1   Fr= 1--     -17.681                 17.093                -48.878
 Raman2 Fr= 1--       1.756                  3.654                  0.785
 ROA2   Fr= 1--     -16.257                 34.758                -13.519
 CID2   Fr= 1--      -9.259                  9.511                -17.214
 Raman3 Fr= 1--       3.512                  7.309                  1.571
 ROA3   Fr= 1--    -129.066                172.512                -89.823
 CID3   Fr= 1--     -36.753                 23.603                -57.188
 RC180  Fr= 1--      -0.038                  0.448                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10   0.10     0.03  -0.07   0.05     0.07  -0.05  -0.01
     2   6    -0.08  -0.00   0.08    -0.07  -0.04  -0.00    -0.10  -0.05  -0.09
     3   6    -0.05  -0.03  -0.02    -0.05  -0.01   0.01    -0.06   0.04   0.02
     4   6     0.07   0.07  -0.11     0.02   0.06  -0.07    -0.05   0.09  -0.06
     5   6     0.14  -0.06  -0.14     0.09  -0.01  -0.09     0.04   0.02  -0.05
     6   6     0.05  -0.07   0.02     0.07  -0.03  -0.01     0.12  -0.00  -0.03
     7   6    -0.02  -0.01   0.04    -0.02   0.04   0.07    -0.01   0.08   0.09
     8   6    -0.02   0.01   0.10    -0.06   0.01   0.03    -0.12  -0.02  -0.03
     9   6    -0.10   0.04   0.07    -0.09  -0.02  -0.01    -0.12  -0.08  -0.06
    10   6    -0.05   0.09  -0.06    -0.04   0.01  -0.03     0.07   0.00   0.12
    11   6    -0.04   0.06  -0.08    -0.04  -0.11  -0.00     0.09   0.05   0.12
    12   6     0.09  -0.01  -0.01    -0.07  -0.08   0.14    -0.02   0.07  -0.02
    13   6     0.11  -0.03   0.05    -0.11   0.02   0.05     0.00  -0.03  -0.06
    14   6     0.04   0.04  -0.00    -0.08   0.03  -0.03    -0.01  -0.09   0.03
    15   6     0.02   0.01  -0.02    -0.10   0.06  -0.01     0.04  -0.04   0.04
    16   6     0.08  -0.02  -0.01    -0.02  -0.04   0.15    -0.06   0.06  -0.05
    17   6    -0.04  -0.07  -0.02     0.02   0.15   0.07     0.07  -0.03  -0.07
    18   6    -0.06  -0.05   0.03     0.10   0.08  -0.03     0.05   0.00  -0.08
    19   6    -0.09   0.01   0.02     0.20  -0.03  -0.06    -0.11  -0.01   0.01
    20   6     0.00   0.09   0.06     0.06  -0.11  -0.11    -0.10  -0.05   0.03
    21  40    -0.01   0.00  -0.02     0.01   0.01  -0.01     0.02   0.00   0.02
    22  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.05   0.14    -0.07   0.00   0.02    -0.16  -0.01  -0.08
    25   1    -0.02   0.00   0.05    -0.02   0.07   0.11     0.04   0.12   0.14
    26   1     0.00  -0.11   0.10     0.07  -0.05   0.03     0.16  -0.02  -0.05
    27   1     0.04  -0.10   0.06     0.03  -0.07   0.06     0.05  -0.05   0.01
    28   1     0.01   0.14   0.07     0.02   0.08  -0.01     0.07   0.02  -0.07
    29   1     0.02  -0.18   0.08     0.09  -0.08   0.01     0.17  -0.01  -0.05
    30   1     0.27  -0.10  -0.19     0.14  -0.01  -0.13     0.05   0.06  -0.08
    31   1     0.17  -0.01   0.02     0.08  -0.03   0.00    -0.00  -0.09   0.02
    32   1     0.10   0.29  -0.15     0.04   0.15  -0.10    -0.04   0.08  -0.06
    33   1     0.20   0.02   0.09     0.10   0.04   0.01    -0.03   0.08  -0.05
    34   1     0.01   0.04  -0.09     0.04  -0.04  -0.13     0.24  -0.15   0.10
    35   1    -0.05   0.20  -0.10     0.01   0.12  -0.01     0.15   0.14   0.18
    36   1    -0.09   0.18  -0.10    -0.01  -0.28  -0.01     0.18  -0.06   0.19
    37   1    -0.17  -0.05  -0.05     0.03  -0.08  -0.15     0.22   0.15   0.04
    38   1     0.09  -0.05  -0.01     0.01  -0.00   0.20    -0.09   0.06  -0.09
    39   1    -0.01   0.02  -0.03    -0.15   0.08  -0.04     0.12  -0.04   0.04
    40   1    -0.09  -0.16  -0.13     0.07   0.20   0.11     0.14   0.04   0.00
    41   1    -0.14   0.06  -0.01     0.09   0.07   0.06     0.11  -0.14  -0.05
    42   1    -0.00   0.00   0.06    -0.05  -0.04  -0.12     0.14   0.00   0.05
    43   1    -0.08  -0.09   0.01     0.13   0.14   0.02     0.10  -0.05  -0.17
    44   1    -0.04  -0.07  -0.01     0.11   0.09  -0.04    -0.05  -0.01   0.15
    45   1    -0.14   0.02   0.06     0.29  -0.03  -0.12    -0.20  -0.07   0.01
    46   1     0.03   0.15   0.14     0.11  -0.16  -0.20    -0.15  -0.03   0.08
    47   1     0.04  -0.03   0.09     0.00  -0.00  -0.13    -0.07  -0.08   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --    499.6468               519.7210               576.4914
 Red. masses --      2.7268                 2.6987                 2.8733
 Frc consts  --      0.4011                 0.4295                 0.5626
 IR Inten    --      0.2171                 1.1899                 0.4960
 RamAct Fr= 1--      1.4461                 1.0446                 5.2708
  Dep-P Fr= 1--      0.7441                 0.3013                 0.0666
  Dep-U Fr= 1--      0.8533                 0.4631                 0.1249
 Alpha2 Fr= 1--      0.0001                 0.0107                 0.1001
 Beta2  Fr= 1--      0.2056                 0.0806                 0.1097
 AlphaG Fr= 1--     -0.0056                 0.0288                -0.2517
 Gamma2 Fr= 1--     -0.1792                -0.4625                -0.5004
 Delta2 Fr= 1--      0.2968                 0.1037                 0.3991
 Raman1 Fr= 1--       5.784                  4.178                 21.083
 ROA1   Fr= 1--      -7.701                -41.079                -35.263
 CID1   Fr= 1--      -1.331                 -9.831                 -1.673
 Raman2 Fr= 1--       2.468                  0.968                  1.317
 ROA2   Fr= 1--      -6.675                -11.929                -15.202
 CID2   Fr= 1--      -2.705                -12.329                -11.544
 Raman3 Fr= 1--       4.935                  1.935                  2.634
 ROA3   Fr= 1--      -7.701                -41.079                -35.263
 CID3   Fr= 1--      -1.560                -21.228                -13.390
 RC180  Fr= 1--       0.707                 -0.074                 -0.750
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02  -0.05     0.02  -0.01   0.00    -0.00  -0.03   0.03
     2   6    -0.03   0.04  -0.02     0.01   0.02   0.03    -0.04  -0.03  -0.01
     3   6    -0.07   0.05  -0.05    -0.01  -0.01  -0.04     0.02  -0.03  -0.01
     4   6    -0.12   0.08   0.01    -0.03  -0.00   0.03     0.04  -0.05   0.03
     5   6    -0.07   0.05   0.06    -0.05   0.03   0.06    -0.01   0.02   0.03
     6   6     0.15   0.03  -0.03     0.04   0.02  -0.01     0.03   0.02   0.00
     7   6     0.04  -0.04   0.01     0.03  -0.07  -0.03     0.03  -0.03  -0.02
     8   6     0.02  -0.08   0.11     0.07  -0.04   0.08     0.03  -0.03   0.01
     9   6    -0.08  -0.07   0.04    -0.03  -0.01   0.02    -0.05   0.02  -0.01
    10   6     0.03  -0.05  -0.02    -0.04   0.00  -0.10    -0.02   0.14   0.03
    11   6    -0.02  -0.03  -0.01    -0.04  -0.00  -0.10     0.05   0.21  -0.04
    12   6     0.03  -0.02  -0.05    -0.05   0.02   0.07     0.02   0.09  -0.04
    13   6     0.01   0.04   0.00     0.03  -0.07   0.07     0.04  -0.01  -0.01
    14   6     0.02   0.06  -0.00    -0.01  -0.03  -0.01    -0.06  -0.05   0.01
    15   6    -0.02  -0.02  -0.01     0.05   0.08   0.01    -0.12   0.02  -0.03
    16   6     0.01  -0.05  -0.05     0.04   0.09   0.12     0.04  -0.09   0.09
    17   6    -0.06  -0.00   0.04     0.07   0.02  -0.03     0.03  -0.05  -0.03
    18   6    -0.06  -0.02   0.07     0.08   0.02  -0.10     0.00  -0.00   0.03
    19   6     0.05   0.00   0.00    -0.10  -0.00  -0.00     0.04  -0.02   0.01
    20   6     0.07   0.06  -0.01    -0.07  -0.03   0.02    -0.07  -0.13  -0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.04  -0.12   0.14     0.11  -0.09   0.13     0.05  -0.09   0.04
    25   1     0.17  -0.08  -0.03     0.07  -0.10  -0.07     0.03  -0.03  -0.02
    26   1     0.16  -0.21  -0.03     0.04  -0.14   0.02     0.04  -0.06   0.02
    27   1     0.00  -0.01  -0.23    -0.04   0.00  -0.12    -0.05  -0.03   0.01
    28   1     0.04  -0.14  -0.16    -0.04  -0.09  -0.10    -0.08  -0.06  -0.10
    29   1     0.28   0.13  -0.16     0.14   0.10  -0.10     0.13   0.09  -0.09
    30   1    -0.19   0.17   0.08    -0.15   0.10   0.08    -0.16   0.10   0.08
    31   1    -0.16  -0.17   0.00    -0.09  -0.07  -0.05    -0.05  -0.06  -0.14
    32   1    -0.18   0.02   0.07    -0.07  -0.04   0.06     0.02  -0.13   0.06
    33   1    -0.15   0.09  -0.05    -0.04   0.00  -0.03     0.01  -0.04  -0.07
    34   1     0.17  -0.16  -0.12    -0.04  -0.00  -0.10    -0.01   0.11   0.18
    35   1     0.09   0.14   0.01    -0.07   0.05  -0.15    -0.08   0.08  -0.03
    36   1    -0.08   0.09  -0.04    -0.04  -0.14  -0.14     0.08   0.19  -0.00
    37   1    -0.10  -0.08   0.09     0.02   0.04  -0.15     0.06   0.21  -0.08
    38   1     0.01  -0.08  -0.06     0.05   0.19   0.16     0.06  -0.23   0.09
    39   1    -0.09  -0.04   0.01     0.13   0.14  -0.06    -0.14   0.05  -0.07
    40   1    -0.12  -0.05   0.01     0.17   0.06  -0.06    -0.04  -0.12  -0.11
    41   1    -0.07   0.07   0.02     0.04  -0.05   0.02    -0.00   0.07  -0.06
    42   1    -0.11   0.01  -0.04     0.18  -0.07   0.11    -0.05   0.14  -0.17
    43   1    -0.12   0.01   0.14     0.20  -0.05  -0.26    -0.13   0.08   0.20
    44   1     0.01  -0.01  -0.12     0.03  -0.05   0.21    -0.15   0.18  -0.10
    45   1     0.12   0.06   0.01    -0.29  -0.11  -0.00     0.30   0.08  -0.04
    46   1     0.08   0.03  -0.06    -0.06   0.07   0.16    -0.10  -0.22  -0.14
    47   1     0.06   0.09  -0.02    -0.03  -0.18   0.07    -0.13   0.04  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    602.1491               620.6774               636.4830
 Red. masses --      2.8842                 3.7659                 3.7543
 Frc consts  --      0.6161                 0.8548                 0.8961
 IR Inten    --      0.1200                 0.7360                 0.5142
 RamAct Fr= 1--      1.8622                 0.6598                 1.1381
  Dep-P Fr= 1--      0.3902                 0.7496                 0.5739
  Dep-U Fr= 1--      0.5614                 0.8569                 0.7293
 Alpha2 Fr= 1--      0.0143                 0.0000                 0.0038
 Beta2  Fr= 1--      0.1742                 0.0942                 0.1383
 AlphaG Fr= 1--     -0.0775                -0.0014                 0.0192
 Gamma2 Fr= 1--     -1.5290                 1.5986                -1.6064
 Delta2 Fr= 1--      0.1367                -0.2842                -1.4525
 Raman1 Fr= 1--       7.449                  2.639                  4.552
 ROA1   Fr= 1--    -142.409                144.373               -200.695
 CID1   Fr= 1--     -19.118                 54.706                -44.087
 Raman2 Fr= 1--       2.091                  1.131                  1.660
 ROA2   Fr= 1--     -37.790                 40.640                -26.934
 CID2   Fr= 1--     -18.075                 35.941                -16.226
 Raman3 Fr= 1--       4.182                  2.261                  3.320
 ROA3   Fr= 1--    -142.409                144.373               -200.695
 CID3   Fr= 1--     -34.057                 63.841                -60.453
 RC180  Fr= 1--       0.123                  0.714                  0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.03    -0.01   0.00   0.05     0.00  -0.00  -0.00
     2   6    -0.11  -0.08  -0.07     0.06   0.06   0.08    -0.02  -0.01  -0.02
     3   6     0.05  -0.04   0.00    -0.15  -0.15  -0.16    -0.00  -0.01   0.00
     4   6     0.10  -0.10   0.04    -0.07  -0.01  -0.03     0.00  -0.00   0.00
     5   6     0.00   0.02   0.04    -0.04   0.01   0.03     0.00   0.00   0.00
     6   6     0.04   0.02   0.00    -0.02   0.01   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.01  -0.03     0.21   0.10   0.15     0.01   0.00   0.01
     8   6    -0.02  -0.03  -0.05    -0.09  -0.15  -0.16    -0.02  -0.02  -0.02
     9   6    -0.03   0.10   0.04     0.12   0.07   0.04     0.02   0.03   0.03
    10   6    -0.07   0.19   0.04     0.01   0.03  -0.02    -0.01   0.00  -0.01
    11   6    -0.04  -0.05   0.01     0.00   0.01  -0.03    -0.02  -0.06   0.00
    12   6     0.04  -0.08   0.06     0.02  -0.01   0.02     0.01  -0.03  -0.01
    13   6    -0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.09   0.11  -0.13
    14   6     0.02   0.03  -0.01    -0.02   0.00  -0.01     0.20  -0.17   0.21
    15   6     0.06  -0.05   0.02     0.01  -0.00   0.01    -0.05   0.13  -0.18
    16   6    -0.06   0.03  -0.09    -0.01   0.01  -0.01     0.13  -0.06   0.02
    17   6    -0.02   0.02   0.01     0.00   0.00   0.00    -0.05   0.05   0.01
    18   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
    19   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.07   0.02   0.02
    20   6     0.05   0.07   0.00    -0.01  -0.02  -0.00     0.00  -0.02   0.07
    21  40    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.13  -0.01    -0.17  -0.24  -0.24    -0.03  -0.03  -0.02
    25   1     0.06   0.02   0.02     0.37   0.20   0.29     0.02   0.01   0.02
    26   1     0.09   0.00  -0.02    -0.05  -0.14   0.10     0.02   0.02  -0.02
    27   1    -0.06  -0.04   0.09    -0.06   0.01  -0.08    -0.00  -0.01   0.02
    28   1    -0.12  -0.09  -0.14    -0.07  -0.05  -0.05    -0.00  -0.00  -0.01
    29   1     0.19   0.14  -0.14     0.06   0.04  -0.04     0.01   0.01  -0.01
    30   1    -0.25   0.16   0.13     0.05  -0.00  -0.02    -0.01   0.01   0.00
    31   1    -0.06  -0.10  -0.27    -0.02   0.04   0.12    -0.00  -0.01  -0.01
    32   1     0.07  -0.26   0.08    -0.15   0.33   0.01     0.00  -0.01   0.00
    33   1     0.03  -0.07  -0.14     0.22  -0.10   0.14     0.00  -0.00  -0.01
    34   1    -0.02   0.17  -0.14    -0.12   0.13   0.05    -0.02   0.02  -0.07
    35   1    -0.01   0.30   0.08    -0.05  -0.10  -0.06     0.00   0.03   0.00
    36   1     0.05  -0.17   0.10    -0.04   0.05  -0.07    -0.03  -0.02  -0.00
    37   1    -0.03  -0.08  -0.25    -0.05  -0.02   0.01    -0.05  -0.09  -0.01
    38   1    -0.08   0.09  -0.11    -0.02   0.02  -0.02     0.18  -0.07   0.09
    39   1     0.07  -0.09   0.08     0.04  -0.01   0.03    -0.16   0.24  -0.32
    40   1    -0.00   0.06   0.07     0.00   0.00  -0.00     0.01   0.20   0.26
    41   1     0.02  -0.05   0.01     0.00   0.00  -0.00     0.07  -0.21   0.04
    42   1    -0.00  -0.06   0.07    -0.00   0.01  -0.01     0.03  -0.11   0.19
    43   1     0.05  -0.03  -0.06    -0.00   0.01   0.01     0.10  -0.06  -0.16
    44   1     0.07  -0.08   0.01    -0.02   0.02  -0.00    -0.04  -0.02   0.03
    45   1    -0.09  -0.02   0.02     0.03   0.01  -0.01    -0.09  -0.03  -0.00
    46   1     0.07   0.10   0.04     0.00  -0.01  -0.00    -0.31  -0.21  -0.09
    47   1     0.06  -0.00   0.02    -0.03  -0.02   0.00     0.07   0.29  -0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --    656.9391               669.6875               689.9996
 Red. masses --      3.3569                 3.8625                 3.9297
 Frc consts  --      0.8536                 1.0206                 1.1023
 IR Inten    --      2.0101                 1.5602                 0.0628
 RamAct Fr= 1--      5.5280                 2.8973                19.9270
  Dep-P Fr= 1--      0.3382                 0.3439                 0.0451
  Dep-U Fr= 1--      0.5055                 0.5118                 0.0864
 Alpha2 Fr= 1--      0.0504                 0.0259                 0.3982
 Beta2  Fr= 1--      0.4657                 0.2471                 0.2869
 AlphaG Fr= 1--     -0.3671                 0.1752                -0.4164
 Gamma2 Fr= 1--     -2.5897                -2.2430                -3.8549
 Delta2 Fr= 1--      0.4218                -1.1541                -0.3429
 Raman1 Fr= 1--      22.112                 11.589                 79.708
 ROA1   Fr= 1--    -235.107               -252.263               -381.038
 CID1   Fr= 1--     -10.633                -21.767                 -4.780
 Raman2 Fr= 1--       5.589                  2.966                  3.443
 ROA2   Fr= 1--     -65.526                -44.600                -89.774
 CID2   Fr= 1--     -11.725                -15.038                -26.077
 Raman3 Fr= 1--      11.177                  5.931                  6.885
 ROA3   Fr= 1--    -235.107               -252.263               -381.038
 CID3   Fr= 1--     -21.035                -42.530                -55.342
 RC180  Fr= 1--       0.011                  0.024                 -0.827
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.03     0.04   0.03  -0.15    -0.06  -0.19   0.23
     2   6     0.00  -0.00   0.01    -0.11  -0.11  -0.15    -0.08  -0.09  -0.04
     3   6     0.01   0.04   0.01     0.02   0.05   0.15     0.06   0.13   0.04
     4   6    -0.03   0.05  -0.01    -0.04   0.06   0.00    -0.11   0.19  -0.05
     5   6    -0.01   0.00  -0.00     0.00   0.01  -0.02    -0.03   0.03   0.02
     6   6    -0.00  -0.01   0.01     0.05  -0.01  -0.05    -0.04  -0.04   0.05
     7   6    -0.01  -0.03  -0.03    -0.01  -0.09   0.09     0.07  -0.03  -0.10
     8   6     0.04   0.01   0.02    -0.09  -0.10   0.01     0.09  -0.00  -0.12
     9   6    -0.03  -0.03  -0.04     0.18   0.11   0.22     0.12   0.06  -0.02
    10   6     0.02  -0.01  -0.05     0.02   0.01  -0.04     0.04  -0.02  -0.01
    11   6     0.06   0.04  -0.05    -0.00   0.00  -0.08     0.00  -0.01   0.01
    12   6     0.24  -0.11   0.16    -0.02   0.02  -0.04    -0.05   0.02  -0.00
    13   6    -0.06   0.06  -0.06     0.03  -0.02   0.04    -0.01  -0.01  -0.01
    14   6    -0.05  -0.01   0.01    -0.04   0.01  -0.03     0.01   0.00   0.01
    15   6     0.09   0.03   0.05     0.02   0.02   0.01    -0.03  -0.01  -0.00
    16   6    -0.03   0.11  -0.12     0.03   0.02   0.01    -0.03  -0.02   0.04
    17   6    -0.04   0.07   0.02     0.00   0.02   0.03     0.01  -0.04  -0.03
    18   6    -0.02   0.00   0.03     0.01   0.00   0.00     0.01  -0.00  -0.01
    19   6    -0.02  -0.02   0.02    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    20   6    -0.10  -0.15   0.01    -0.04  -0.05  -0.01     0.03   0.05   0.00
    21  40    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.06   0.02   0.05    -0.19  -0.17  -0.10     0.10   0.01  -0.12
    25   1    -0.00  -0.05  -0.06    -0.00  -0.13   0.05     0.12  -0.04  -0.11
    26   1    -0.01  -0.03   0.04     0.11   0.35  -0.25     0.01  -0.14   0.19
    27   1    -0.01  -0.02   0.02     0.12   0.00   0.19    -0.12  -0.19   0.27
    28   1    -0.03   0.01  -0.01     0.26   0.05   0.11    -0.35  -0.01  -0.14
    29   1     0.02  -0.02  -0.00    -0.15  -0.07   0.10     0.19   0.00  -0.10
    30   1     0.03  -0.01  -0.02     0.07  -0.04  -0.04     0.03   0.04  -0.02
    31   1    -0.01  -0.00   0.06    -0.00  -0.02   0.11    -0.06  -0.03   0.16
    32   1    -0.02   0.02  -0.02     0.03  -0.07  -0.04    -0.09   0.04  -0.05
    33   1    -0.07   0.06   0.00    -0.12   0.09  -0.06    -0.28   0.23  -0.06
    34   1    -0.08   0.04   0.21    -0.18   0.18   0.00    -0.12   0.11   0.07
    35   1    -0.14  -0.17  -0.18    -0.11  -0.09  -0.16    -0.02  -0.23  -0.02
    36   1    -0.10   0.30  -0.17    -0.11   0.13  -0.18    -0.03  -0.01  -0.03
    37   1    -0.23  -0.18   0.10    -0.09  -0.04   0.11     0.02   0.02   0.09
    38   1    -0.09   0.14  -0.20     0.04   0.01   0.03    -0.02  -0.01   0.05
    39   1     0.21   0.00   0.10     0.05   0.01   0.02    -0.05  -0.00  -0.02
    40   1    -0.03   0.14   0.15    -0.01  -0.01  -0.03     0.01  -0.04  -0.03
    41   1     0.03  -0.06   0.03    -0.04   0.07   0.04     0.02  -0.03  -0.04
    42   1    -0.04  -0.05   0.04    -0.01  -0.00  -0.01     0.02   0.04  -0.03
    43   1     0.04   0.04   0.03    -0.00   0.01   0.02    -0.02  -0.00   0.00
    44   1    -0.21   0.18  -0.05    -0.05   0.05   0.01     0.07  -0.05   0.01
    45   1     0.21   0.05  -0.06     0.04   0.01  -0.01    -0.05  -0.01   0.02
    46   1    -0.10  -0.21  -0.08     0.00  -0.03   0.01     0.03   0.06   0.02
    47   1    -0.16  -0.03  -0.02    -0.06  -0.08   0.01     0.05   0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    696.3668               722.5710               742.3685
 Red. masses --      3.8976                 3.4320                 2.4451
 Frc consts  --      1.1136                 1.0557                 0.7939
 IR Inten    --      0.9322                 0.3531                 0.4257
 RamAct Fr= 1--      6.1632                 6.0470                 1.3021
  Dep-P Fr= 1--      0.1657                 0.2339                 0.6369
  Dep-U Fr= 1--      0.2843                 0.3792                 0.7782
 Alpha2 Fr= 1--      0.0915                 0.0749                 0.0027
 Beta2  Fr= 1--      0.2920                 0.3821                 0.1689
 AlphaG Fr= 1--      0.1395                -0.4119                -0.0111
 Gamma2 Fr= 1--     -0.8812                 0.7894                 0.1027
 Delta2 Fr= 1--     -0.3481                -0.8043                 0.3210
 Raman1 Fr= 1--      24.653                 24.188                  5.208
 ROA1   Fr= 1--     -95.732                 50.043                 20.133
 CID1   Fr= 1--      -3.883                  2.069                  3.865
 Raman2 Fr= 1--       3.504                  4.586                  2.027
 ROA2   Fr= 1--     -18.363                 25.379                 -0.103
 CID2   Fr= 1--      -5.240                  5.534                 -0.051
 Raman3 Fr= 1--       7.008                  9.172                  4.053
 ROA3   Fr= 1--     -95.732                 50.043                 20.133
 CID3   Fr= 1--     -13.660                  5.456                  4.967
 RC180  Fr= 1--      -0.431                 -0.242                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.06     0.04   0.02  -0.06     0.03  -0.02  -0.01
     2   6    -0.02   0.00   0.00     0.08  -0.02   0.03     0.07  -0.03   0.02
     3   6     0.01   0.02  -0.03    -0.02  -0.03   0.08    -0.00  -0.03   0.07
     4   6     0.02  -0.01  -0.00    -0.08   0.05  -0.01    -0.07   0.05  -0.02
     5   6     0.01  -0.00   0.01    -0.05   0.02  -0.00    -0.05   0.03   0.00
     6   6    -0.01  -0.01   0.02    -0.01   0.01  -0.03    -0.02   0.00  -0.02
     7   6     0.01   0.04  -0.04     0.00  -0.11   0.08     0.01  -0.09   0.05
     8   6    -0.01   0.03  -0.03     0.09  -0.05  -0.00     0.10  -0.03  -0.06
     9   6    -0.00   0.01  -0.00    -0.02  -0.04  -0.10     0.00  -0.00  -0.09
    10   6     0.02  -0.01   0.05     0.00   0.14   0.03    -0.09   0.09   0.03
    11   6     0.02   0.01   0.02     0.02   0.16  -0.03    -0.09  -0.07   0.03
    12   6    -0.04   0.03  -0.16     0.00  -0.03   0.10     0.01  -0.00  -0.07
    13   6     0.07  -0.05   0.15    -0.05  -0.06   0.01     0.04   0.03   0.01
    14   6    -0.00  -0.05  -0.11     0.06  -0.08  -0.05    -0.03   0.05   0.03
    15   6     0.07  -0.06  -0.10    -0.01  -0.13  -0.10     0.02   0.07   0.04
    16   6     0.11  -0.04  -0.08    -0.10  -0.07   0.01     0.09   0.02  -0.06
    17   6    -0.08   0.23   0.21    -0.07   0.05   0.04     0.03   0.01   0.01
    18   6    -0.05   0.04   0.05    -0.02   0.04   0.00     0.00  -0.02   0.01
    19   6    -0.04  -0.00  -0.02     0.04   0.04  -0.02    -0.04  -0.03   0.01
    20   6    -0.07  -0.12  -0.05     0.07   0.08  -0.02    -0.05  -0.06   0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.01   0.03  -0.01     0.09  -0.02  -0.00     0.11   0.03  -0.07
    25   1     0.03   0.06  -0.03    -0.07  -0.14   0.05    -0.06  -0.08   0.06
    26   1     0.00  -0.08   0.06    -0.04   0.10  -0.04    -0.02   0.06  -0.01
    27   1    -0.04  -0.03   0.00     0.05   0.01   0.04     0.03  -0.02   0.07
    28   1    -0.13  -0.02  -0.06     0.17   0.04   0.10     0.08   0.03   0.06
    29   1     0.09   0.03  -0.05    -0.15  -0.07   0.09    -0.11  -0.05   0.05
    30   1    -0.06   0.04   0.03     0.16  -0.09  -0.07     0.14  -0.07  -0.07
    31   1    -0.00  -0.03  -0.08    -0.01   0.09   0.25    -0.02   0.10   0.24
    32   1    -0.00  -0.04   0.02    -0.02   0.13  -0.06    -0.01   0.12  -0.07
    33   1    -0.01   0.00  -0.03     0.00   0.03   0.07     0.00   0.03   0.05
    34   1     0.06  -0.04   0.00    -0.02   0.12   0.24     0.07  -0.00  -0.31
    35   1     0.06   0.02   0.09    -0.07   0.00  -0.01     0.15   0.28   0.25
    36   1     0.05   0.08   0.08     0.06   0.05  -0.02     0.15  -0.27   0.26
    37   1     0.05   0.04   0.08     0.03   0.15  -0.18     0.07   0.01  -0.34
    38   1     0.16  -0.07  -0.02    -0.10  -0.03   0.01     0.11  -0.04  -0.05
    39   1     0.13  -0.07  -0.08     0.01  -0.11  -0.13     0.00   0.02   0.10
    40   1    -0.01   0.20   0.09     0.05   0.14   0.10    -0.04  -0.05  -0.05
    41   1    -0.19   0.22   0.28     0.01  -0.10   0.05    -0.02   0.10   0.01
    42   1    -0.11  -0.29   0.29    -0.03  -0.17   0.19    -0.00   0.06  -0.07
    43   1     0.18  -0.03  -0.18     0.15  -0.03  -0.18    -0.07   0.01   0.09
    44   1    -0.02   0.01   0.08     0.24  -0.16   0.08    -0.17   0.10  -0.06
    45   1    -0.11  -0.06  -0.04    -0.21  -0.07   0.03     0.12   0.03  -0.03
    46   1    -0.03  -0.03   0.06     0.04   0.13   0.07    -0.02  -0.09  -0.04
    47   1    -0.12  -0.25   0.03     0.05  -0.02   0.03    -0.02  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --    815.4259               818.4872               832.8169
 Red. masses --      1.2205                 1.2175                 1.4886
 Frc consts  --      0.4781                 0.4805                 0.6083
 IR Inten    --     63.3923                49.5596                13.6892
 RamAct Fr= 1--      4.8361                 4.9051                 4.3032
  Dep-P Fr= 1--      0.7483                 0.5645                 0.2628
  Dep-U Fr= 1--      0.8560                 0.7216                 0.4162
 Alpha2 Fr= 1--      0.0001                 0.0172                 0.0492
 Beta2  Fr= 1--      0.6900                 0.5899                 0.2985
 AlphaG Fr= 1--     -0.0022                -0.0434                 0.0067
 Gamma2 Fr= 1--     -3.1907                -1.5003                 1.9390
 Delta2 Fr= 1--     -0.8713                -0.1623                 0.5758
 Raman1 Fr= 1--      19.344                 19.620                 17.213
 ROA1   Fr= 1--    -334.189               -149.222                204.569
 CID1   Fr= 1--     -17.276                 -7.605                 11.885
 Raman2 Fr= 1--       8.280                  7.079                  3.582
 ROA2   Fr= 1--     -69.606                -34.708                 41.929
 CID2   Fr= 1--      -8.407                 -4.903                 11.705
 Raman3 Fr= 1--      16.560                 14.158                  7.164
 ROA3   Fr= 1--    -334.189               -149.222                204.569
 CID3   Fr= 1--     -20.181                -10.539                 28.553
 RC180  Fr= 1--       0.712                  0.443                 -0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.01   0.09   0.02
     2   6    -0.00   0.00   0.00     0.02   0.01   0.03    -0.04  -0.02  -0.04
     3   6     0.00   0.00   0.00    -0.02  -0.00  -0.00     0.05   0.02   0.06
     4   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.04  -0.09  -0.01
     5   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.04  -0.05  -0.03
     6   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.02   0.06   0.04
     7   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.04    -0.01  -0.02  -0.02
     8   6    -0.00   0.00  -0.00    -0.06  -0.05  -0.06    -0.03  -0.02  -0.03
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
    10   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.01   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    12   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.01   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    15   6    -0.04   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    16   6    -0.06   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6    -0.01   0.00  -0.02    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6     0.01   0.01   0.03     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.01   0.01   0.02     0.42   0.34   0.44     0.24   0.20   0.26
    25   1     0.01   0.01   0.01     0.38   0.29   0.40     0.04   0.02   0.04
    26   1     0.02  -0.01  -0.01    -0.06   0.08  -0.01     0.19  -0.24   0.02
    27   1    -0.01   0.00  -0.02     0.07  -0.03   0.08    -0.23   0.11  -0.24
    28   1    -0.01  -0.01  -0.01     0.07   0.06   0.05    -0.13  -0.10  -0.12
    29   1     0.01   0.00  -0.01    -0.10  -0.03   0.05     0.28   0.03  -0.10
    30   1     0.01  -0.00  -0.01    -0.07   0.01   0.06     0.25  -0.08  -0.20
    31   1     0.00   0.01   0.01    -0.01  -0.05  -0.07     0.04   0.12   0.22
    32   1     0.01   0.01  -0.01    -0.03  -0.10   0.06     0.12   0.24  -0.17
    33   1     0.00  -0.01   0.01    -0.05   0.06  -0.12     0.07  -0.14   0.35
    34   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.02
    35   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    36   1    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.01  -0.03
    37   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.01  -0.02   0.02
    38   1     0.44  -0.38   0.52    -0.02   0.01  -0.02     0.00   0.01  -0.00
    39   1     0.32  -0.27   0.36    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    40   1     0.06   0.05   0.02     0.01   0.01  -0.00    -0.03  -0.03  -0.01
    41   1    -0.01  -0.10   0.02     0.00  -0.02   0.00     0.00   0.04  -0.01
    42   1     0.02  -0.03   0.04     0.00  -0.00   0.01    -0.00   0.02  -0.03
    43   1     0.06   0.00  -0.07     0.01   0.00  -0.01    -0.03   0.00   0.03
    44   1    -0.03   0.03  -0.02    -0.01   0.00  -0.00     0.02  -0.01   0.02
    45   1     0.08  -0.01  -0.03     0.01   0.00  -0.00    -0.04   0.00   0.01
    46   1    -0.00  -0.07  -0.07     0.00  -0.00  -0.01    -0.01   0.03   0.03
    47   1    -0.03   0.14  -0.00    -0.00   0.01  -0.00     0.01  -0.05  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    835.4440               864.3253               864.9845
 Red. masses --      1.4984                 2.3770                 2.3835
 Frc consts  --      0.6162                 1.0463                 1.0507
 IR Inten    --      3.6792                 0.2501                 3.0166
 RamAct Fr= 1--      2.7775                 3.4269                 0.9735
  Dep-P Fr= 1--      0.0906                 0.0555                 0.5847
  Dep-U Fr= 1--      0.1662                 0.1051                 0.7380
 Alpha2 Fr= 1--      0.0498                 0.0668                 0.0030
 Beta2  Fr= 1--      0.0769                 0.0600                 0.1197
 AlphaG Fr= 1--     -0.0748                 0.0167                 0.0078
 Gamma2 Fr= 1--     -0.4643                -1.9286                 2.3415
 Delta2 Fr= 1--      0.0059                -1.1948                 1.4370
 Raman1 Fr= 1--      11.110                 13.708                  3.894
 ROA1   Fr= 1--     -44.389               -223.376                270.770
 CID1   Fr= 1--      -3.995                -16.296                 69.532
 Raman2 Fr= 1--       0.923                  0.720                  1.437
 ROA2   Fr= 1--     -11.191                -36.727                 44.700
 CID2   Fr= 1--     -12.124                -50.986                 31.109
 Raman3 Fr= 1--       1.846                  1.441                  2.874
 ROA3   Fr= 1--     -44.389               -223.376                270.770
 CID3   Fr= 1--     -24.044               -155.053                 94.223
 RC180  Fr= 1--      -0.668                 -0.790                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.07   0.03   0.02     0.10  -0.03  -0.03
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.02
     3   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.02  -0.00
     4   6     0.00   0.01   0.00    -0.05  -0.01   0.06     0.07   0.02  -0.08
     5   6     0.01   0.01   0.00     0.06  -0.09  -0.05    -0.08   0.12   0.06
     6   6    -0.00  -0.01  -0.01     0.07   0.08  -0.04    -0.10  -0.11   0.06
     7   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.00
     8   6     0.00  -0.00   0.00     0.03   0.00  -0.01    -0.05   0.00   0.02
     9   6    -0.01  -0.00  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.02
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    11   6     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01   0.02    -0.01   0.00   0.02    -0.00   0.00   0.01
    13   6    -0.04   0.05  -0.04     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    14   6     0.03  -0.05   0.05     0.01   0.02   0.00     0.01   0.01   0.00
    15   6    -0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    16   6    -0.03   0.02  -0.03    -0.04  -0.00   0.02    -0.03   0.00   0.02
    17   6     0.05   0.01   0.07     0.09   0.04  -0.05     0.06   0.03  -0.04
    18   6     0.06  -0.02   0.05    -0.04   0.04   0.15    -0.03   0.03   0.11
    19   6    -0.02   0.02  -0.07    -0.15  -0.05  -0.04    -0.10  -0.04  -0.03
    20   6    -0.03  -0.01  -0.09     0.09  -0.03  -0.07     0.06  -0.02  -0.05
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    23  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.09     0.04   0.06   0.12
    25   1     0.01   0.01   0.02     0.07   0.02   0.03    -0.06  -0.00  -0.03
    26   1    -0.02   0.03  -0.00    -0.11  -0.00   0.04     0.16  -0.01  -0.06
    27   1     0.03  -0.01   0.02    -0.22   0.03   0.04     0.29  -0.04  -0.06
    28   1     0.02   0.01   0.01     0.10   0.26   0.04    -0.16  -0.37  -0.07
    29   1    -0.04  -0.01   0.01    -0.03   0.02   0.05     0.06  -0.02  -0.08
    30   1    -0.03   0.01   0.02    -0.06  -0.05   0.01     0.08   0.07  -0.02
    31   1    -0.00  -0.01  -0.03    -0.00  -0.24  -0.09     0.00   0.33   0.13
    32   1    -0.01  -0.03   0.02    -0.09  -0.01   0.10     0.13   0.02  -0.14
    33   1    -0.01   0.02  -0.04    -0.15   0.00   0.14     0.21  -0.01  -0.19
    34   1    -0.02   0.02   0.04    -0.02   0.01   0.02     0.01  -0.02   0.01
    35   1    -0.02  -0.02  -0.02     0.01  -0.04   0.01    -0.01   0.01  -0.02
    36   1    -0.02   0.03  -0.02     0.01  -0.05   0.00    -0.01   0.01  -0.02
    37   1    -0.03  -0.03   0.01     0.03   0.04  -0.03    -0.00   0.01   0.02
    38   1     0.17  -0.17   0.20     0.01  -0.04   0.07     0.01  -0.04   0.07
    39   1     0.07  -0.03   0.07    -0.04  -0.01   0.01    -0.06   0.02  -0.04
    40   1    -0.23  -0.21  -0.07     0.16   0.07  -0.08     0.12   0.05  -0.06
    41   1     0.05   0.36  -0.07     0.23   0.07  -0.15     0.17   0.04  -0.11
    42   1    -0.04   0.13  -0.22     0.11   0.04   0.37     0.08   0.03   0.27
    43   1    -0.23  -0.03   0.22     0.11   0.00   0.01     0.08   0.01   0.01
    44   1     0.17  -0.11   0.14    -0.25  -0.05  -0.28    -0.18  -0.04  -0.21
    45   1    -0.31   0.01   0.10     0.05   0.02  -0.08     0.03   0.02  -0.05
    46   1    -0.09   0.20   0.24     0.16  -0.02  -0.07     0.12  -0.01  -0.05
    47   1     0.13  -0.36  -0.02     0.26  -0.08  -0.12     0.19  -0.07  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    875.6397               878.1239               910.0168
 Red. masses --      1.2784                 1.2456                 2.2648
 Frc consts  --      0.5775                 0.5659                 1.1051
 IR Inten    --      1.5024                 0.2965                 2.2784
 RamAct Fr= 1--      1.1876                 2.1319                 0.8010
  Dep-P Fr= 1--      0.4915                 0.4486                 0.7499
  Dep-U Fr= 1--      0.6591                 0.6194                 0.8571
 Alpha2 Fr= 1--      0.0061                 0.0131                 0.0000
 Beta2  Fr= 1--      0.1305                 0.2201                 0.1144
 AlphaG Fr= 1--      0.0108                 0.0493                 0.0007
 Gamma2 Fr= 1--     -0.7786                 2.7029                -0.9471
 Delta2 Fr= 1--      1.7061                 0.3223                -0.0068
 Raman1 Fr= 1--       4.750                  8.527                  3.204
 ROA1   Fr= 1--     -20.145                269.795                -91.144
 CID1   Fr= 1--      -4.241                 31.638                -28.448
 Raman2 Fr= 1--       1.565                  2.641                  1.373
 ROA2   Fr= 1--     -32.335                 62.292                -22.677
 CID2   Fr= 1--     -20.656                 23.588                -16.516
 Raman3 Fr= 1--       3.131                  5.282                  2.746
 ROA3   Fr= 1--     -20.145                269.795                -91.144
 CID3   Fr= 1--      -6.434                 51.083                -33.191
 RC180  Fr= 1--       0.318                  0.239                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.08  -0.02
     2   6     0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.05  -0.05   0.01
     3   6     0.01   0.01   0.00     0.01   0.00   0.01     0.05   0.02  -0.01
     4   6     0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.05  -0.04  -0.02
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.01    -0.02   0.01   0.02
     6   6    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.03   0.03  -0.01
     7   6    -0.04  -0.01  -0.04    -0.06  -0.04  -0.06     0.03   0.10  -0.07
     8   6     0.01   0.03   0.03     0.04   0.04   0.04    -0.08   0.01   0.02
     9   6     0.02  -0.00   0.02    -0.00   0.00   0.01     0.06  -0.01   0.09
    10   6    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01    -0.08  -0.11  -0.02
    11   6    -0.02   0.03  -0.01     0.00   0.01   0.00    -0.07   0.11  -0.03
    12   6     0.01  -0.00   0.03     0.01   0.00  -0.00     0.08   0.00   0.07
    13   6     0.01   0.02  -0.01    -0.00  -0.01  -0.00     0.02   0.02  -0.01
    14   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.02  -0.01
    15   6    -0.05   0.03  -0.08     0.03  -0.02   0.04     0.01  -0.05  -0.01
    16   6     0.03  -0.04   0.04    -0.02   0.02  -0.02    -0.05  -0.00   0.00
    17   6     0.02   0.00   0.02    -0.02  -0.00  -0.01    -0.01   0.03  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.02  -0.00
    19   6    -0.01   0.00  -0.01     0.02   0.00   0.01     0.01  -0.01   0.00
    20   6     0.01  -0.00   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    21  40    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.19  -0.14  -0.18    -0.30  -0.25  -0.31     0.03   0.03   0.15
    25   1     0.24   0.19   0.23     0.39   0.31   0.41     0.02  -0.01  -0.22
    26   1     0.03  -0.04   0.01     0.05  -0.06   0.01    -0.08   0.20  -0.05
    27   1    -0.01   0.01  -0.03    -0.03   0.01  -0.05     0.03  -0.10   0.27
    28   1    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01     0.06   0.01   0.00
    29   1     0.03  -0.02  -0.01     0.03  -0.04  -0.00    -0.08   0.16  -0.00
    30   1     0.04  -0.02  -0.03     0.06  -0.05  -0.04     0.04   0.13  -0.06
    31   1     0.01   0.06   0.04     0.01   0.09   0.07    -0.05  -0.07   0.07
    32   1     0.03   0.00  -0.03     0.04  -0.00  -0.03    -0.01   0.20  -0.08
    33   1     0.00  -0.01   0.01    -0.01  -0.01   0.02     0.06  -0.08   0.20
    34   1     0.03  -0.06  -0.04     0.03  -0.04  -0.03     0.13  -0.25  -0.26
    35   1     0.04   0.02   0.04     0.01   0.04   0.01     0.17   0.13   0.19
    36   1     0.04  -0.04   0.04     0.01   0.02   0.02     0.17  -0.10   0.19
    37   1     0.04   0.07  -0.06    -0.00   0.00  -0.01     0.12   0.23  -0.27
    38   1    -0.27   0.25  -0.29     0.15  -0.16   0.17     0.02  -0.10   0.06
    39   1     0.39  -0.35   0.43    -0.24   0.21  -0.28    -0.02   0.05  -0.15
    40   1    -0.04  -0.05  -0.03     0.02   0.03   0.03    -0.00   0.06   0.06
    41   1     0.00   0.09  -0.01    -0.01  -0.05   0.01     0.01  -0.03   0.01
    42   1     0.01   0.02   0.00    -0.02  -0.02  -0.01    -0.05  -0.02  -0.08
    43   1    -0.04  -0.03  -0.00     0.02   0.02  -0.00    -0.01   0.03   0.06
    44   1     0.01  -0.01   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.02
    45   1    -0.04  -0.02  -0.02     0.02   0.01   0.02     0.02   0.04   0.05
    46   1    -0.04  -0.04  -0.02     0.01   0.03   0.02    -0.03   0.05   0.05
    47   1     0.02   0.05  -0.02    -0.03  -0.03   0.02    -0.03  -0.05   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    920.5127               923.6458               928.5531
 Red. masses --      2.1797                 2.1556                 1.6926
 Frc consts  --      1.0882                 1.0835                 0.8598
 IR Inten    --      3.6735                 0.8843                 1.6335
 RamAct Fr= 1--      0.5137                 1.2286                 0.5020
  Dep-P Fr= 1--      0.5327                 0.3362                 0.2884
  Dep-U Fr= 1--      0.6951                 0.5032                 0.4477
 Alpha2 Fr= 1--      0.0022                 0.0113                 0.0053
 Beta2  Fr= 1--      0.0595                 0.1031                 0.0375
 AlphaG Fr= 1--      0.0850                 0.1105                 0.0054
 Gamma2 Fr= 1--     -0.3600                -0.1854                -0.6540
 Delta2 Fr= 1--      0.3493                -0.3990                -0.0207
 Raman1 Fr= 1--       2.055                  4.914                  2.008
 ROA1   Fr= 1--     -23.385                -30.570                -63.448
 CID1   Fr= 1--     -11.380                 -6.220                -31.596
 Raman2 Fr= 1--       0.714                  1.237                  0.450
 ROA2   Fr= 1--     -11.436                 -1.259                -15.531
 CID2   Fr= 1--     -16.012                 -1.018                -34.546
 Raman3 Fr= 1--       1.428                  2.473                  0.899
 ROA3   Fr= 1--     -23.385                -30.570                -63.448
 CID3   Fr= 1--     -16.372                -12.360                -70.567
 RC180  Fr= 1--       0.390                  0.006                 -0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.10   0.04     0.00   0.03   0.01    -0.01  -0.02  -0.02
     2   6    -0.06   0.04  -0.05    -0.01   0.01  -0.02     0.00   0.00   0.02
     3   6    -0.06  -0.00  -0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     4   6     0.06   0.07   0.02     0.02   0.02   0.01    -0.01  -0.02  -0.01
     5   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.01
     6   6    -0.05  -0.04   0.03    -0.01  -0.01   0.01     0.01   0.00   0.00
     7   6    -0.01  -0.06   0.09    -0.00  -0.01   0.02    -0.00  -0.01  -0.01
     8   6     0.03  -0.02  -0.04    -0.00  -0.00  -0.01     0.01   0.00  -0.00
     9   6     0.07   0.02   0.01     0.03   0.00   0.01    -0.03   0.00  -0.02
    10   6    -0.04  -0.08  -0.02    -0.01  -0.03   0.00     0.01   0.04   0.00
    11   6    -0.04   0.07  -0.01    -0.02   0.05  -0.02     0.03  -0.05   0.02
    12   6     0.04   0.01   0.06     0.04  -0.02  -0.02    -0.03   0.02  -0.01
    13   6     0.03   0.04  -0.00    -0.02  -0.10   0.01     0.05   0.01   0.03
    14   6     0.03  -0.01  -0.02    -0.03  -0.04   0.05     0.04  -0.03   0.02
    15   6     0.02  -0.07  -0.05    -0.06   0.13   0.09    -0.01  -0.02  -0.05
    16   6    -0.06  -0.01   0.02     0.08   0.01  -0.04    -0.02  -0.00   0.04
    17   6     0.02   0.05   0.01    -0.09  -0.03  -0.08    -0.01   0.09  -0.06
    18   6     0.02  -0.04  -0.02    -0.03   0.02   0.06     0.03  -0.09  -0.00
    19   6    -0.02  -0.04   0.01     0.09   0.04  -0.00    -0.02  -0.09   0.03
    20   6    -0.03   0.02   0.02    -0.01   0.00  -0.11    -0.06   0.08  -0.03
    21  40    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.05   0.20  -0.07    -0.00   0.06  -0.02    -0.01  -0.06  -0.02
    25   1    -0.13  -0.10   0.04    -0.04  -0.04  -0.02     0.02   0.04   0.05
    26   1     0.14  -0.26   0.06     0.04  -0.08   0.02    -0.04   0.07  -0.02
    27   1    -0.08   0.12  -0.31    -0.03   0.03  -0.09     0.03  -0.02   0.06
    28   1    -0.17   0.00  -0.04    -0.05   0.00  -0.01     0.03  -0.03   0.00
    29   1     0.15  -0.17  -0.02     0.04  -0.05  -0.01    -0.03   0.07  -0.01
    30   1    -0.08  -0.14   0.09    -0.02  -0.04   0.02     0.01   0.06  -0.02
    31   1     0.07   0.04  -0.15     0.02   0.01  -0.04    -0.02  -0.04   0.02
    32   1    -0.03  -0.25   0.12    -0.01  -0.07   0.03     0.01   0.07  -0.04
    33   1    -0.12   0.13  -0.24    -0.04   0.04  -0.07     0.04  -0.03   0.06
    34   1     0.08  -0.16  -0.18     0.05  -0.08  -0.03    -0.04   0.08   0.04
    35   1     0.13   0.04   0.13     0.06   0.01   0.07    -0.07  -0.01  -0.08
    36   1     0.10  -0.08   0.12     0.07  -0.03   0.06    -0.06   0.04  -0.06
    37   1     0.09   0.15  -0.15     0.07   0.11  -0.10    -0.05  -0.10   0.12
    38   1     0.00   0.00   0.09    -0.01  -0.15  -0.20    -0.05   0.12   0.02
    39   1     0.02   0.02  -0.17    -0.03  -0.02   0.28     0.13  -0.08   0.03
    40   1    -0.02   0.05   0.04     0.19   0.21   0.12     0.13   0.26   0.13
    41   1    -0.01   0.03   0.03     0.09  -0.38  -0.05     0.01  -0.21   0.05
    42   1    -0.04   0.02  -0.16    -0.10  -0.13   0.12    -0.12  -0.00  -0.30
    43   1    -0.04   0.04   0.11     0.18   0.11   0.02     0.06   0.22   0.31
    44   1    -0.11   0.03  -0.08     0.21  -0.12  -0.01    -0.20  -0.00  -0.25
    45   1     0.09   0.06   0.04    -0.10   0.10   0.18     0.20   0.25   0.24
    46   1    -0.02   0.03   0.02    -0.00   0.22   0.21    -0.02   0.23   0.18
    47   1    -0.03   0.01   0.02     0.04  -0.34   0.01     0.03  -0.20   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --    930.0611               953.2664               969.6250
 Red. masses --      1.9062                 2.3452                 2.2026
 Frc consts  --      0.9715                 1.2556                 1.2201
 IR Inten    --      0.8286                 1.5041                 1.3921
 RamAct Fr= 1--      0.5873                 2.8929                 4.5213
  Dep-P Fr= 1--      0.0314                 0.3140                 0.7084
  Dep-U Fr= 1--      0.0609                 0.4779                 0.8293
 Alpha2 Fr= 1--      0.0121                 0.0284                 0.0033
 Beta2  Fr= 1--      0.0060                 0.2304                 0.6249
 AlphaG Fr= 1--      0.0528                -0.0801                -0.0176
 Gamma2 Fr= 1--      0.3212                 3.3574                 5.1227
 Delta2 Fr= 1--      0.0019                -0.6823                 1.4867
 Raman1 Fr= 1--       2.349                 11.572                 18.085
 ROA1   Fr= 1--      30.893                300.472                539.357
 CID1   Fr= 1--      13.151                 25.966                 29.823
 Raman2 Fr= 1--       0.071                  2.765                  7.499
 ROA2   Fr= 1--       7.693                 86.035                111.051
 CID2   Fr= 1--     107.613                 31.114                 14.809
 Raman3 Fr= 1--       0.143                  5.530                 14.998
 ROA3   Fr= 1--      30.893                300.472                539.357
 CID3   Fr= 1--     216.058                 54.332                 35.961
 RC180  Fr= 1--      -0.878                 -0.044                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.07    -0.03   0.03  -0.01    -0.12   0.10  -0.00
     2   6     0.01  -0.06  -0.02     0.04  -0.02  -0.01    -0.01  -0.06   0.04
     3   6     0.00  -0.03  -0.04     0.01   0.02  -0.03     0.05  -0.06  -0.01
     4   6     0.01  -0.00   0.11     0.01   0.03  -0.04     0.06   0.10  -0.10
     5   6    -0.09   0.05  -0.06     0.03  -0.03   0.02    -0.08  -0.04   0.11
     6   6    -0.01   0.04  -0.11    -0.01  -0.02   0.04     0.13  -0.05  -0.02
     7   6     0.03   0.08  -0.06    -0.03   0.03  -0.01     0.01   0.04  -0.04
     8   6    -0.05  -0.00   0.04    -0.06  -0.00   0.08    -0.01   0.03  -0.01
     9   6    -0.01  -0.02   0.02     0.04  -0.07  -0.01    -0.01   0.00   0.02
    10   6     0.01   0.02   0.02     0.13   0.06   0.10    -0.01  -0.00  -0.02
    11   6    -0.01  -0.00  -0.01    -0.13   0.04  -0.10     0.01  -0.00   0.02
    12   6    -0.01  -0.00  -0.00    -0.05  -0.07   0.01     0.01   0.01  -0.00
    13   6     0.00   0.00   0.00    -0.04  -0.02   0.02     0.01  -0.00  -0.01
    14   6     0.00   0.00   0.00    -0.01   0.03   0.02    -0.01  -0.01  -0.00
    15   6     0.00  -0.00  -0.01     0.03   0.02   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.07  -0.01  -0.08    -0.00   0.00   0.01
    17   6     0.00   0.01  -0.01     0.02   0.03   0.01     0.01   0.01  -0.00
    18   6     0.01  -0.01  -0.00     0.03  -0.03  -0.03    -0.02  -0.01   0.01
    19   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00     0.02  -0.01  -0.01
    20   6    -0.01   0.01   0.00    -0.01   0.04   0.03    -0.01   0.01   0.01
    21  40     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.03  -0.08   0.15    -0.11   0.00   0.02     0.02  -0.06   0.04
    25   1     0.03  -0.03  -0.20     0.12  -0.00  -0.03    -0.11   0.09   0.01
    26   1     0.11  -0.22   0.10    -0.01  -0.01  -0.01    -0.19  -0.06   0.06
    27   1    -0.10  -0.01  -0.08    -0.07   0.03  -0.02    -0.39   0.11  -0.05
    28   1     0.17   0.31   0.11    -0.07  -0.11  -0.03     0.36  -0.23   0.08
    29   1    -0.09  -0.39   0.14     0.06   0.06  -0.04     0.07  -0.18   0.08
    30   1     0.11  -0.38   0.02    -0.04   0.05   0.02     0.01  -0.16   0.11
    31   1     0.03   0.34   0.20    -0.00  -0.09  -0.06    -0.14  -0.19   0.35
    32   1    -0.02  -0.23   0.16    -0.01   0.01  -0.02     0.11  -0.07  -0.13
    33   1    -0.09   0.04  -0.13    -0.03   0.04  -0.03     0.13   0.10  -0.33
    34   1    -0.03   0.05   0.06    -0.05   0.16   0.45    -0.02   0.01  -0.05
    35   1    -0.02  -0.03  -0.01     0.04  -0.35   0.12    -0.01   0.02  -0.02
    36   1    -0.02  -0.03  -0.03    -0.05  -0.34  -0.12     0.01   0.01   0.03
    37   1    -0.02  -0.01  -0.04     0.03   0.12  -0.44     0.02   0.01   0.03
    38   1     0.01   0.03   0.01     0.12   0.02  -0.01    -0.01  -0.03  -0.01
    39   1     0.00  -0.01   0.01    -0.12  -0.00   0.01     0.02   0.01  -0.01
    40   1     0.01   0.03   0.01    -0.00  -0.00  -0.02     0.02   0.00  -0.02
    41   1     0.00  -0.01   0.01     0.01   0.07  -0.00     0.03   0.03  -0.02
    42   1    -0.01   0.01  -0.05    -0.01   0.03  -0.13    -0.04  -0.05   0.02
    43   1     0.00   0.03   0.04    -0.03   0.02   0.07    -0.01  -0.02  -0.01
    44   1    -0.04   0.00  -0.03    -0.10   0.03  -0.06     0.04  -0.05  -0.03
    45   1     0.03   0.03   0.03     0.08   0.03   0.00    -0.01  -0.03  -0.02
    46   1    -0.00   0.02   0.02     0.01   0.00  -0.02    -0.03   0.00   0.01
    47   1     0.00  -0.01   0.01     0.02   0.08   0.00    -0.04   0.03   0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --    970.3153              1002.1992              1028.4821
 Red. masses --      2.2225                 2.3624                 2.9815
 Frc consts  --      1.2329                 1.3980                 1.8581
 IR Inten    --      1.0996                 1.0246                 5.3136
 RamAct Fr= 1--      3.8502                 1.6129                 1.0103
  Dep-P Fr= 1--      0.7164                 0.3739                 0.7495
  Dep-U Fr= 1--      0.8348                 0.5443                 0.8568
 Alpha2 Fr= 1--      0.0022                 0.0131                 0.0000
 Beta2  Fr= 1--      0.5357                 0.1463                 0.1443
 AlphaG Fr= 1--      0.0035                -0.0183                 0.0010
 Gamma2 Fr= 1--     -0.8684                -0.5075                -0.1028
 Delta2 Fr= 1--     -1.2385                -0.8988                -0.1749
 Raman1 Fr= 1--      15.401                  6.452                  4.041
 ROA1   Fr= 1--    -123.001                -77.481                -15.461
 CID1   Fr= 1--      -7.987                -12.009                 -3.826
 Raman2 Fr= 1--       6.428                  1.756                  1.731
 ROA2   Fr= 1--     -10.934                 -4.990                 -1.067
 CID2   Fr= 1--      -1.701                 -2.842                 -0.616
 Raman3 Fr= 1--      12.856                  3.511                  3.463
 ROA3   Fr= 1--    -123.001                -77.481                -15.461
 CID3   Fr= 1--      -9.568                -22.066                 -4.465
 RC180  Fr= 1--       0.670                  0.089                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00     0.01   0.01  -0.01     0.01   0.03  -0.01
     2   6    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.12  -0.08  -0.03
     3   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01   0.01  -0.03
     4   6    -0.01  -0.02   0.02     0.00   0.00   0.00    -0.00   0.07  -0.02
     5   6     0.01   0.01  -0.02     0.01  -0.00  -0.01     0.03  -0.06  -0.00
     6   6    -0.02   0.01   0.00    -0.01  -0.00   0.01    -0.06   0.02   0.05
     7   6    -0.00  -0.01   0.01    -0.00  -0.02   0.01    -0.02   0.01   0.01
     8   6     0.00  -0.01  -0.00    -0.05  -0.02   0.07    -0.10  -0.01   0.10
     9   6    -0.00   0.00  -0.00    -0.00   0.01  -0.04     0.05  -0.09  -0.05
    10   6    -0.00  -0.00  -0.01     0.03   0.04  -0.22    -0.01   0.10   0.01
    11   6     0.01   0.00   0.01    -0.04   0.04   0.22    -0.02  -0.10   0.00
    12   6     0.01  -0.00  -0.02    -0.00   0.01   0.04     0.06   0.09  -0.05
    13   6    -0.00  -0.06  -0.05     0.00  -0.00  -0.00     0.12   0.09  -0.04
    14   6    -0.06  -0.05  -0.00     0.01   0.01   0.00     0.02  -0.02  -0.02
    15   6    -0.01   0.04   0.04     0.00  -0.02  -0.01    -0.02  -0.01   0.01
    16   6     0.01   0.03   0.01     0.05  -0.02  -0.07    -0.11   0.01   0.10
    17   6     0.12   0.10   0.00    -0.00   0.01   0.01    -0.00  -0.01  -0.03
    18   6    -0.10  -0.07   0.05     0.01  -0.00  -0.01    -0.07  -0.00   0.03
    19   6     0.10  -0.07  -0.09    -0.01  -0.00   0.01     0.05   0.05   0.02
    20   6    -0.07   0.10   0.11    -0.00   0.00  -0.00    -0.01  -0.06  -0.04
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.01   0.00   0.00    -0.02  -0.12   0.14    -0.13   0.09   0.06
    25   1     0.01  -0.01   0.00     0.15  -0.08  -0.05     0.27  -0.12  -0.13
    26   1     0.03   0.01  -0.01     0.02  -0.00  -0.01     0.08  -0.05  -0.02
    27   1     0.06  -0.02   0.01     0.01   0.01  -0.01    -0.13   0.03   0.01
    28   1    -0.05   0.03  -0.01    -0.03  -0.02  -0.01    -0.19  -0.03  -0.05
    29   1    -0.01   0.02  -0.01     0.02   0.02  -0.01     0.07   0.08  -0.05
    30   1     0.00   0.02  -0.02    -0.00   0.01  -0.01    -0.06  -0.03   0.03
    31   1     0.02   0.03  -0.05     0.01   0.01  -0.03     0.02  -0.08  -0.08
    32   1    -0.01   0.01   0.02     0.00  -0.00   0.00    -0.05  -0.03   0.02
    33   1    -0.02  -0.02   0.05    -0.02   0.01   0.01    -0.13   0.10  -0.03
    34   1    -0.02   0.01   0.00    -0.31   0.33  -0.18    -0.18   0.27  -0.17
    35   1    -0.01  -0.00  -0.02    -0.06  -0.27  -0.24     0.02  -0.03   0.09
    36   1     0.00   0.01   0.00     0.05  -0.27   0.24     0.01   0.03   0.07
    37   1     0.01   0.00   0.03     0.31   0.33   0.17    -0.20  -0.29  -0.18
    38   1    -0.01  -0.06  -0.03     0.02  -0.13  -0.15    -0.14  -0.09   0.06
    39   1     0.09   0.10  -0.03    -0.14  -0.07   0.04     0.29   0.11  -0.11
    40   1     0.13   0.02  -0.17     0.00  -0.00  -0.01     0.02   0.04   0.04
    41   1     0.25   0.28  -0.16    -0.03   0.01   0.02    -0.06  -0.07   0.03
    42   1    -0.25  -0.31   0.05    -0.00  -0.00  -0.02    -0.05  -0.09   0.14
    43   1    -0.06  -0.16  -0.06     0.00   0.01   0.01    -0.02  -0.08  -0.09
    44   1     0.22  -0.32  -0.25    -0.03   0.03   0.01     0.13  -0.02   0.08
    45   1    -0.02  -0.17  -0.13     0.02   0.01   0.01    -0.09  -0.00   0.04
    46   1    -0.19   0.01   0.02     0.01   0.00  -0.00    -0.03  -0.02   0.03
    47   1    -0.26   0.24   0.13     0.00  -0.00  -0.00    -0.10  -0.12   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1058.0861              1059.1639              1065.5602
 Red. masses --      1.3748                 1.3333                 2.4934
 Frc consts  --      0.9068                 0.8812                 1.6680
 IR Inten    --      3.4526                 7.6570                 1.7309
 RamAct Fr= 1--      3.7745                 2.4553                 0.9971
  Dep-P Fr= 1--      0.1075                 0.3820                 0.7473
  Dep-U Fr= 1--      0.1941                 0.5528                 0.8554
 Alpha2 Fr= 1--      0.0649                 0.0194                 0.0000
 Beta2  Fr= 1--      0.1221                 0.2262                 0.1422
 AlphaG Fr= 1--     -0.1699                -0.0708                 0.0087
 Gamma2 Fr= 1--      2.4017                 2.9694                 1.0018
 Delta2 Fr= 1--      0.8739                 0.6538                -0.9988
 Raman1 Fr= 1--      15.098                  9.821                  3.988
 ROA1   Fr= 1--     258.525                305.986                 64.207
 CID1   Fr= 1--      17.123                 31.155                 16.098
 Raman2 Fr= 1--       1.465                  2.715                  1.706
 ROA2   Fr= 1--      50.649                 66.035                 32.033
 CID2   Fr= 1--      34.568                 24.325                 18.778
 Raman3 Fr= 1--       2.930                  5.429                  3.412
 ROA3   Fr= 1--     258.525                305.986                 64.207
 CID3   Fr= 1--      88.221                 56.357                 18.820
 RC180  Fr= 1--      -0.612                  0.106                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.02     0.05   0.01  -0.02
     2   6     0.04  -0.03  -0.01    -0.02   0.02  -0.00     0.09  -0.07  -0.01
     3   6     0.01  -0.01  -0.01    -0.01   0.03  -0.00     0.02  -0.03  -0.02
     4   6     0.00   0.02  -0.02     0.02  -0.04  -0.00     0.01   0.08  -0.04
     5   6     0.00  -0.04   0.01    -0.02   0.03   0.02     0.00  -0.10   0.02
     6   6    -0.02   0.03   0.01     0.03  -0.01  -0.03    -0.08   0.08   0.04
     7   6     0.01  -0.01   0.01     0.04  -0.09   0.02    -0.01   0.03  -0.00
     8   6    -0.03   0.02   0.02    -0.05   0.06   0.02    -0.03  -0.00   0.02
     9   6     0.01  -0.02   0.00     0.00  -0.00  -0.01     0.02  -0.03   0.01
    10   6    -0.04   0.01  -0.00    -0.01   0.00   0.00    -0.08   0.03  -0.01
    11   6     0.04   0.01   0.00     0.01   0.00   0.00     0.08   0.03   0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    13   6    -0.01  -0.00   0.01    -0.02  -0.02   0.00    -0.10  -0.08   0.02
    14   6     0.01   0.02   0.01    -0.01  -0.01   0.00    -0.04  -0.03   0.01
    15   6    -0.04  -0.08  -0.02     0.01   0.02   0.00     0.03   0.06   0.01
    16   6     0.07   0.06  -0.02    -0.00  -0.01  -0.00     0.02  -0.03  -0.02
    17   6     0.00  -0.01  -0.02    -0.01  -0.00   0.01    -0.04  -0.02   0.06
    18   6     0.00   0.00   0.02     0.02   0.01  -0.01     0.11   0.05  -0.01
    19   6     0.02  -0.00  -0.03    -0.01  -0.02  -0.00    -0.05  -0.08  -0.05
    20   6    -0.03  -0.01   0.01     0.01   0.02   0.01     0.01   0.09   0.04
    21  40    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.06   0.15  -0.05    -0.19   0.58  -0.27    -0.01  -0.04   0.06
    25   1     0.13  -0.08  -0.06     0.50  -0.33  -0.23    -0.05   0.04   0.01
    26   1     0.05  -0.01  -0.01    -0.10  -0.01   0.06     0.18  -0.02  -0.06
    27   1    -0.03   0.00   0.01    -0.04  -0.01   0.02    -0.02   0.01   0.01
    28   1    -0.07   0.04  -0.01     0.13  -0.02   0.04    -0.24   0.13  -0.05
    29   1    -0.01   0.05  -0.01    -0.03  -0.06   0.03    -0.00   0.16  -0.05
    30   1    -0.03  -0.05   0.04     0.01   0.00   0.01    -0.06  -0.14   0.08
    31   1    -0.01  -0.07   0.02    -0.01   0.05   0.03    -0.03  -0.19   0.05
    32   1    -0.01  -0.00  -0.01     0.03   0.02  -0.02    -0.02  -0.04  -0.02
    33   1    -0.02   0.03  -0.03     0.10  -0.06  -0.02    -0.10   0.10  -0.07
    34   1     0.02  -0.03  -0.07     0.02  -0.02  -0.00     0.03  -0.05  -0.14
    35   1    -0.02   0.13  -0.01    -0.01   0.04  -0.01    -0.05   0.26  -0.04
    36   1     0.03   0.13   0.02     0.01   0.04   0.00     0.05   0.24   0.03
    37   1    -0.03  -0.04   0.06    -0.00  -0.01   0.03    -0.02  -0.03   0.16
    38   1     0.21   0.56   0.27    -0.04  -0.11  -0.07    -0.07  -0.26  -0.18
    39   1    -0.50  -0.29   0.19     0.10   0.06  -0.04     0.24   0.15  -0.07
    40   1     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.09  -0.06   0.03
    41   1     0.08  -0.03  -0.06    -0.02   0.01   0.02    -0.06   0.02   0.06
    42   1    -0.01  -0.01   0.02     0.03   0.04  -0.02     0.17   0.20  -0.06
    43   1     0.00  -0.00   0.01     0.02   0.03   0.02     0.11   0.16   0.10
    44   1     0.06  -0.05  -0.01    -0.03  -0.00  -0.03    -0.11  -0.06  -0.19
    45   1    -0.04  -0.04  -0.03     0.03  -0.00  -0.02     0.11  -0.05  -0.11
    46   1    -0.08  -0.01   0.03     0.02   0.01  -0.01     0.03   0.04  -0.03
    47   1    -0.04   0.01   0.01     0.03   0.03  -0.00     0.09   0.12  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1079.7081              1085.8859              1103.9445
 Red. masses --      2.0125                 2.0479                 1.8056
 Frc consts  --      1.3823                 1.4228                 1.2965
 IR Inten    --      1.0188                 0.6200                 0.6112
 RamAct Fr= 1--      1.1176                 3.8438                 0.9080
  Dep-P Fr= 1--      0.6690                 0.6010                 0.5240
  Dep-U Fr= 1--      0.8017                 0.7508                 0.6876
 Alpha2 Fr= 1--      0.0016                 0.0106                 0.0040
 Beta2  Fr= 1--      0.1493                 0.4810                 0.1041
 AlphaG Fr= 1--      0.0038                -0.1202                -0.0294
 Gamma2 Fr= 1--      2.2021                -5.0334                 0.1843
 Delta2 Fr= 1--      1.5971                -0.6577                 0.0152
 Raman1 Fr= 1--       4.470                 15.375                  3.632
 ROA1   Fr= 1--     262.504               -504.250                 18.176
 CID1   Fr= 1--      58.723                -32.797                  5.005
 Raman2 Fr= 1--       1.792                  5.772                  1.249
 ROA2   Fr= 1--      40.073               -115.539                  4.301
 CID2   Fr= 1--      22.363                -20.018                  3.444
 Raman3 Fr= 1--       3.584                 11.543                  2.497
 ROA3   Fr= 1--     262.504               -504.250                 18.176
 CID3   Fr= 1--      73.247                -43.683                  7.278
 RC180  Fr= 1--       0.603                  0.502                  0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03   0.02     0.06  -0.03   0.04     0.02   0.02   0.02
     2   6    -0.02   0.02  -0.01    -0.07   0.05  -0.01    -0.01  -0.01  -0.01
     3   6     0.01  -0.00   0.00     0.01   0.02   0.01     0.01   0.01   0.02
     4   6     0.03   0.01  -0.07     0.03  -0.03  -0.07    -0.02  -0.01  -0.02
     5   6    -0.03  -0.09   0.07    -0.03  -0.05   0.08     0.02   0.01   0.02
     6   6    -0.05   0.10  -0.03    -0.03   0.07  -0.06    -0.01  -0.01  -0.03
     7   6     0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.02   0.01   0.01    -0.02   0.02  -0.00     0.00  -0.00  -0.01
    10   6     0.00  -0.01  -0.00     0.06  -0.02   0.00     0.01   0.00  -0.01
    11   6    -0.00   0.01   0.00    -0.06  -0.02  -0.00    -0.00  -0.00   0.00
    12   6    -0.02  -0.01   0.01     0.02   0.03   0.01     0.01  -0.00  -0.02
    13   6    -0.01  -0.02  -0.01     0.06   0.08   0.00     0.04  -0.05   0.04
    14   6     0.00   0.00  -0.01     0.02   0.01   0.00    -0.05   0.02  -0.05
    15   6     0.00   0.02   0.01     0.00  -0.02  -0.02     0.00  -0.01   0.01
    16   6    -0.00  -0.01  -0.00    -0.02  -0.00   0.01    -0.00   0.01   0.01
    17   6     0.06   0.06  -0.01    -0.04  -0.06  -0.00    -0.06   0.07  -0.07
    18   6    -0.07  -0.09  -0.05     0.03   0.08   0.06     0.07  -0.07   0.07
    19   6    -0.02   0.07   0.09     0.04  -0.05  -0.08    -0.04   0.07  -0.09
    20   6     0.06  -0.04  -0.03    -0.08   0.00   0.00     0.06  -0.05   0.08
    21  40    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1    -0.02   0.10  -0.05     0.00   0.01  -0.02     0.01  -0.04   0.02
    25   1    -0.01  -0.01   0.03    -0.05   0.02   0.06     0.00   0.01   0.01
    26   1     0.09  -0.04   0.02     0.00  -0.06   0.07    -0.05  -0.07   0.07
    27   1     0.17  -0.02  -0.05     0.21  -0.02  -0.10     0.04   0.02  -0.09
    28   1    -0.11   0.31  -0.00    -0.01   0.29   0.03     0.05   0.02   0.03
    29   1    -0.18   0.18   0.00    -0.21   0.12   0.03    -0.08  -0.02   0.02
    30   1    -0.08  -0.19   0.14    -0.07  -0.12   0.13    -0.05   0.03   0.06
    31   1    -0.10  -0.27   0.18    -0.10  -0.22   0.15     0.00  -0.03  -0.06
    32   1     0.07   0.02  -0.10     0.07   0.06  -0.11    -0.06   0.08   0.01
    33   1     0.13  -0.02  -0.11     0.20  -0.07  -0.08     0.07  -0.04   0.02
    34   1     0.03  -0.05   0.07    -0.02   0.03   0.09    -0.03   0.04  -0.03
    35   1    -0.03   0.02  -0.05     0.03  -0.19   0.02     0.02  -0.04   0.02
    36   1    -0.03  -0.04  -0.05    -0.03  -0.18  -0.01     0.03   0.02   0.04
    37   1     0.04   0.06   0.05     0.01   0.02  -0.11     0.00   0.00  -0.01
    38   1    -0.02  -0.08  -0.04    -0.01   0.01   0.02    -0.01  -0.02  -0.00
    39   1    -0.01   0.01   0.02     0.05   0.00  -0.05     0.08   0.06  -0.08
    40   1     0.10   0.04  -0.10    -0.05  -0.03   0.07    -0.17   0.19   0.33
    41   1     0.10   0.10  -0.06    -0.13  -0.10   0.07     0.19  -0.21  -0.12
    42   1    -0.22  -0.23  -0.13     0.19   0.17   0.19     0.02   0.15  -0.21
    43   1    -0.16  -0.16  -0.07     0.14   0.11   0.02    -0.18  -0.04   0.25
    44   1    -0.06   0.21   0.25     0.10  -0.20  -0.21     0.17  -0.11   0.08
    45   1    -0.03   0.15   0.19     0.02  -0.15  -0.16    -0.30   0.00   0.01
    46   1     0.13  -0.03  -0.05    -0.14   0.04   0.08    -0.25  -0.24  -0.06
    47   1     0.13  -0.02  -0.06    -0.21  -0.05   0.08     0.23   0.26  -0.12
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1105.2193              1141.1898              1165.9972
 Red. masses --      1.9134                 1.8149                 1.8750
 Frc consts  --      1.3771                 1.3926                 1.5019
 IR Inten    --      0.4947                 1.9286                 0.0834
 RamAct Fr= 1--      2.0923                 0.6601                 1.9358
  Dep-P Fr= 1--      0.1007                 0.6208                 0.6057
  Dep-U Fr= 1--      0.1829                 0.7661                 0.7545
 Alpha2 Fr= 1--      0.0366                 0.0016                 0.0052
 Beta2  Fr= 1--      0.0638                 0.0843                 0.2434
 AlphaG Fr= 1--      0.1420                 0.0055                 0.0066
 Gamma2 Fr= 1--     -0.3973                -2.2510                 1.2943
 Delta2 Fr= 1--     -0.5400                -0.6508                 0.5907
 Raman1 Fr= 1--       8.369                  2.640                  7.743
 ROA1   Fr= 1--     -55.424               -236.922                143.159
 CID1   Fr= 1--      -6.623                -89.729                 18.488
 Raman2 Fr= 1--       0.765                  1.011                  2.921
 ROA2   Fr= 1--      -5.215                -48.818                 26.338
 CID2   Fr= 1--      -6.813                -48.269                  9.017
 Raman3 Fr= 1--       1.531                  2.023                  5.842
 ROA3   Fr= 1--     -55.424               -236.922                143.159
 CID3   Fr= 1--     -36.203               -117.130                 24.505
 RC180  Fr= 1--      -0.634                  0.532                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09   0.07    -0.02  -0.02   0.03    -0.01  -0.02   0.02
     2   6    -0.01  -0.09  -0.03    -0.03   0.07  -0.04     0.02   0.03  -0.04
     3   6     0.06   0.01   0.05    -0.04   0.06   0.00    -0.02   0.06  -0.01
     4   6    -0.09  -0.02  -0.07     0.03  -0.04  -0.00     0.02  -0.03  -0.02
     5   6     0.10   0.06   0.06    -0.02   0.00   0.02    -0.01  -0.00   0.02
     6   6    -0.06  -0.07  -0.08     0.03  -0.00  -0.02     0.01   0.00  -0.01
     7   6     0.00   0.02  -0.02    -0.04   0.00   0.02    -0.04   0.00   0.03
     8   6    -0.01   0.01   0.00    -0.00  -0.05   0.05     0.00  -0.03   0.03
     9   6     0.01  -0.02   0.01     0.05   0.01  -0.07     0.03  -0.00  -0.03
    10   6    -0.02   0.01  -0.00     0.02  -0.01  -0.02    -0.02   0.00   0.01
    11   6     0.02   0.01   0.00     0.03   0.01  -0.02     0.03   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.05  -0.02  -0.07    -0.04  -0.02   0.00
    13   6    -0.02  -0.00  -0.01    -0.03  -0.07  -0.04    -0.05   0.04   0.06
    14   6     0.01  -0.01   0.01    -0.04  -0.07   0.00    -0.01   0.13   0.05
    15   6    -0.00   0.01   0.00    -0.05  -0.00   0.03     0.07  -0.01  -0.06
    16   6     0.00   0.00  -0.00    -0.00   0.05   0.04    -0.02  -0.07  -0.02
    17   6     0.02  -0.01   0.03    -0.01   0.01   0.05     0.00  -0.08  -0.01
    18   6    -0.02   0.01  -0.03     0.02   0.02  -0.03    -0.01   0.02   0.02
    19   6     0.00  -0.02   0.03    -0.02  -0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.00   0.02  -0.02     0.04   0.05  -0.00    -0.06  -0.03   0.03
    21  40     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.06   0.04     0.04  -0.24   0.15     0.01  -0.09   0.06
    25   1    -0.01   0.05   0.02     0.03  -0.02   0.00    -0.02   0.00   0.03
    26   1    -0.15  -0.27   0.23    -0.12  -0.01   0.08    -0.01   0.00   0.02
    27   1     0.06   0.11  -0.32     0.03  -0.02   0.01    -0.16  -0.02   0.10
    28   1     0.16  -0.01   0.09     0.03   0.07   0.01     0.04   0.00   0.01
    29   1    -0.24  -0.12   0.05    -0.05   0.02   0.02     0.01  -0.06   0.02
    30   1    -0.21   0.16   0.19     0.03   0.01  -0.02    -0.03  -0.06   0.06
    31   1     0.04  -0.05  -0.31    -0.04  -0.04   0.08     0.02   0.07  -0.04
    32   1    -0.33   0.29   0.10     0.16  -0.02  -0.10    -0.00   0.04  -0.01
    33   1     0.17  -0.09   0.10     0.13  -0.06  -0.06     0.09  -0.04  -0.02
    34   1    -0.02   0.02  -0.06    -0.13   0.15  -0.20    -0.05   0.05  -0.10
    35   1    -0.01   0.06  -0.00     0.23  -0.27   0.29     0.05   0.02   0.08
    36   1     0.02   0.06   0.01     0.23   0.28   0.28     0.04   0.13   0.03
    37   1    -0.02  -0.02   0.02    -0.13  -0.16  -0.18     0.03   0.03   0.09
    38   1     0.01   0.01   0.01     0.04   0.24   0.15     0.00   0.05   0.02
    39   1    -0.02  -0.02   0.03     0.02   0.01   0.02     0.21   0.08  -0.16
    40   1     0.04  -0.05  -0.10    -0.08  -0.04   0.02     0.34  -0.02  -0.28
    41   1    -0.04   0.07   0.03    -0.04   0.07   0.05     0.14   0.01  -0.14
    42   1    -0.02  -0.05   0.03    -0.02  -0.03  -0.04    -0.23  -0.26  -0.02
    43   1     0.04   0.01  -0.07     0.02   0.03  -0.02     0.21   0.16   0.02
    44   1    -0.07   0.05  -0.01    -0.08   0.06   0.00     0.03   0.10   0.16
    45   1     0.09   0.01   0.01     0.07   0.03   0.01    -0.06   0.08   0.12
    46   1     0.09   0.07   0.01     0.14   0.04  -0.05    -0.30  -0.04   0.11
    47   1    -0.03  -0.06   0.02     0.15   0.02  -0.04     0.29   0.01  -0.14
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1167.3161              1172.1209              1174.1955
 Red. masses --      1.5580                 1.3328                 1.3051
 Frc consts  --      1.2508                 1.0789                 1.0601
 IR Inten    --      0.5666                 0.8334                 1.9199
 RamAct Fr= 1--      0.3862                 2.0329                 0.8454
  Dep-P Fr= 1--      0.4101                 0.4147                 0.6343
  Dep-U Fr= 1--      0.5817                 0.5862                 0.7762
 Alpha2 Fr= 1--      0.0028                 0.0143                 0.0018
 Beta2  Fr= 1--      0.0374                 0.1986                 0.1094
 AlphaG Fr= 1--      0.0470                -0.0449                 0.0067
 Gamma2 Fr= 1--     -1.7843                -1.2818                -0.0054
 Delta2 Fr= 1--     -0.4653                 0.4467                 0.2401
 Raman1 Fr= 1--       1.545                  8.132                  3.381
 ROA1   Fr= 1--    -186.187               -108.764                  7.164
 CID1   Fr= 1--    -120.514                -13.375                  2.119
 Raman2 Fr= 1--       0.449                  2.384                  1.312
 ROA2   Fr= 1--     -39.101                -34.338                 -2.051
 CID2   Fr= 1--     -87.022                -14.406                 -1.563
 Raman3 Fr= 1--       0.899                  4.767                  2.625
 ROA3   Fr= 1--    -186.187               -108.764                  7.164
 CID3   Fr= 1--    -207.186                -22.816                  2.729
 RC180  Fr= 1--       0.163                  0.172                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06  -0.01     0.03   0.00   0.04    -0.04   0.01  -0.04
     2   6    -0.05  -0.05   0.04     0.00  -0.00  -0.05    -0.00   0.01   0.04
     3   6    -0.01  -0.11   0.04    -0.02   0.02  -0.04     0.01  -0.03   0.06
     4   6    -0.02   0.05   0.07     0.03   0.00   0.02    -0.03  -0.00   0.00
     5   6     0.01   0.00  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.02     0.00   0.00  -0.01     0.00  -0.02   0.02
     7   6     0.05   0.01  -0.05    -0.03   0.01   0.02     0.02   0.00  -0.03
     8   6    -0.02   0.05  -0.01     0.00  -0.03   0.02    -0.01   0.03  -0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02  -0.01    -0.01   0.03  -0.02
    10   6     0.01  -0.01  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.01   0.00  -0.01
    12   6     0.00  -0.01  -0.02    -0.03   0.00   0.02    -0.01  -0.01  -0.02
    13   6    -0.01   0.00   0.00    -0.01   0.00   0.06     0.00  -0.01   0.04
    14   6    -0.02   0.03   0.02     0.05   0.02   0.02     0.02   0.02   0.04
    15   6     0.01  -0.01  -0.01     0.03   0.01  -0.02     0.01   0.00  -0.02
    16   6    -0.01  -0.01   0.00    -0.00  -0.02  -0.01    -0.01  -0.02   0.00
    17   6    -0.00  -0.03   0.01    -0.01   0.01  -0.04    -0.02   0.00  -0.03
    18   6    -0.00   0.01   0.01     0.00  -0.01   0.01     0.01   0.01   0.01
    19   6     0.01  -0.01  -0.01     0.01  -0.01   0.00     0.01  -0.02  -0.00
    20   6    -0.01  -0.01   0.01    -0.04   0.01  -0.02    -0.04   0.02  -0.02
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.06   0.03     0.01  -0.01   0.02     0.01  -0.12   0.06
    25   1     0.18  -0.07  -0.14    -0.04   0.01   0.03     0.15  -0.06  -0.10
    26   1    -0.16  -0.06   0.08    -0.29  -0.08   0.19     0.24   0.07  -0.17
    27   1     0.42   0.06  -0.29     0.02   0.01  -0.06     0.06   0.00   0.01
    28   1    -0.07   0.01  -0.01     0.14  -0.14   0.03    -0.20   0.22  -0.04
    29   1    -0.12   0.24  -0.04    -0.18   0.21  -0.00     0.18  -0.20   0.00
    30   1     0.14   0.24  -0.23     0.09   0.16  -0.13    -0.06  -0.11   0.09
    31   1    -0.09  -0.26   0.17    -0.01   0.00   0.02    -0.03  -0.11   0.05
    32   1     0.20  -0.15  -0.09     0.23  -0.09  -0.14    -0.17   0.07   0.11
    33   1    -0.15   0.09  -0.00    -0.19   0.05   0.09     0.27  -0.07  -0.16
    34   1     0.01  -0.01   0.02    -0.03   0.03  -0.08    -0.00  -0.00   0.01
    35   1     0.05  -0.09   0.06    -0.00   0.07   0.02     0.07  -0.08   0.08
    36   1     0.06   0.05   0.08    -0.01   0.05  -0.04     0.05   0.06   0.06
    37   1    -0.02  -0.02  -0.04     0.01   0.01   0.07    -0.01  -0.01  -0.00
    38   1     0.01   0.10   0.06    -0.02  -0.10  -0.06    -0.01   0.05   0.02
    39   1     0.10   0.04  -0.07    -0.02  -0.02   0.02     0.09   0.03  -0.04
    40   1     0.11  -0.02  -0.11    -0.15   0.03   0.17    -0.14   0.02   0.15
    41   1    -0.01   0.01  -0.00     0.30  -0.04  -0.22     0.28  -0.03  -0.21
    42   1    -0.09  -0.10  -0.01     0.02   0.03   0.00    -0.03  -0.03   0.00
    43   1     0.10   0.08   0.01    -0.18  -0.18  -0.05    -0.14  -0.14  -0.05
    44   1     0.01   0.03   0.04    -0.04   0.13   0.14    -0.06   0.17   0.18
    45   1    -0.02   0.05   0.07     0.08  -0.19  -0.22     0.08  -0.18  -0.21
    46   1    -0.10  -0.02   0.03     0.22   0.07  -0.04     0.22   0.08  -0.04
    47   1     0.16   0.01  -0.07    -0.22  -0.08   0.10    -0.09  -0.07   0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1185.9456              1201.5695              1215.9509
 Red. masses --      1.5694                 1.6277                 1.5724
 Frc consts  --      1.3005                 1.3846                 1.3698
 IR Inten    --      0.2102                 0.8026                 1.0355
 RamAct Fr= 1--      5.2131                 0.6131                 2.0266
  Dep-P Fr= 1--      0.1272                 0.7295                 0.3693
  Dep-U Fr= 1--      0.2256                 0.8436                 0.5394
 Alpha2 Fr= 1--      0.0854                 0.0002                 0.0167
 Beta2  Fr= 1--      0.1960                 0.0862                 0.1822
 AlphaG Fr= 1--      0.1395                -0.0027                -0.0305
 Gamma2 Fr= 1--     -4.0057                 2.1141                -3.2463
 Delta2 Fr= 1--     -2.9189                 1.3622                -0.6042
 Raman1 Fr= 1--      20.852                  2.453                  8.107
 ROA1   Fr= 1--    -477.949                246.548               -330.978
 CID1   Fr= 1--     -22.921                100.528                -40.828
 Raman2 Fr= 1--       2.352                  1.034                  2.186
 ROA2   Fr= 1--     -72.785                 39.842                -73.077
 CID2   Fr= 1--     -30.940                 38.514                -33.424
 Raman3 Fr= 1--       4.705                  2.069                  4.373
 ROA3   Fr= 1--    -477.949                246.548               -330.978
 CID3   Fr= 1--    -101.584                119.165                -75.691
 RC180  Fr= 1--      -0.549                  0.687                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.02    -0.05   0.00   0.02    -0.04  -0.00   0.01
     2   6    -0.03  -0.03   0.06     0.03   0.02  -0.06     0.01   0.01  -0.03
     3   6     0.03  -0.01  -0.04     0.02   0.02  -0.02     0.07   0.01  -0.06
     4   6     0.01   0.02  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
     5   6    -0.01  -0.03   0.01    -0.00   0.04  -0.02    -0.01   0.04  -0.01
     6   6    -0.02   0.04  -0.01     0.03  -0.05   0.01     0.03  -0.03   0.00
     7   6     0.03  -0.03   0.00    -0.02   0.02   0.00     0.00  -0.01   0.00
     8   6     0.00   0.02  -0.03     0.02  -0.04   0.01     0.00  -0.04   0.02
     9   6    -0.05   0.01   0.05     0.03  -0.07   0.03     0.00  -0.07   0.05
    10   6     0.04  -0.00  -0.02    -0.01   0.02   0.01     0.01   0.03  -0.02
    11   6    -0.04  -0.00   0.02    -0.02  -0.02   0.02    -0.01   0.03   0.02
    12   6     0.05  -0.00  -0.05     0.03   0.07   0.02    -0.01  -0.08  -0.05
    13   6     0.03  -0.04  -0.04     0.04  -0.03  -0.06    -0.02   0.02   0.03
    14   6    -0.04  -0.00   0.04     0.01  -0.02  -0.03    -0.05   0.01   0.06
    15   6    -0.03  -0.03  -0.00    -0.03  -0.02   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.02   0.03     0.02   0.04   0.01    -0.01  -0.04  -0.02
    17   6    -0.04  -0.02   0.02    -0.04  -0.02   0.04     0.03   0.01  -0.03
    18   6     0.02   0.04   0.02     0.03   0.04   0.02    -0.03  -0.03  -0.01
    19   6     0.01  -0.03  -0.02    -0.01  -0.04  -0.03     0.02   0.03   0.03
    20   6    -0.03   0.04   0.00    -0.02   0.03   0.02     0.01  -0.01  -0.03
    21  40    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.04   0.20  -0.11    -0.03   0.17  -0.10    -0.08   0.32  -0.17
    25   1    -0.16   0.06   0.10    -0.13   0.09   0.07    -0.30   0.16   0.19
    26   1     0.07   0.01  -0.03    -0.10  -0.01   0.04    -0.05   0.00   0.01
    27   1    -0.09  -0.01   0.06     0.15   0.00  -0.07     0.18  -0.00  -0.07
    28   1     0.18  -0.23   0.03    -0.19   0.27  -0.03    -0.13   0.20  -0.02
    29   1    -0.05   0.07  -0.00     0.06  -0.08   0.01     0.05  -0.08   0.01
    30   1    -0.03  -0.07   0.05     0.05   0.09  -0.07     0.04   0.05  -0.04
    31   1     0.09   0.22  -0.16    -0.10  -0.22   0.20    -0.07  -0.11   0.15
    32   1    -0.09   0.02   0.05     0.04  -0.01  -0.00    -0.04   0.02   0.05
    33   1    -0.28   0.07   0.19     0.17  -0.05  -0.11    -0.01  -0.01   0.02
    34   1    -0.02   0.03   0.09     0.00   0.01   0.01    -0.08   0.11  -0.05
    35   1    -0.02  -0.08  -0.07    -0.16   0.20  -0.20    -0.06   0.05  -0.11
    36   1     0.03  -0.07   0.09    -0.14  -0.19  -0.17     0.09   0.09   0.14
    37   1     0.02   0.02  -0.08    -0.00  -0.01  -0.01     0.07   0.10   0.02
    38   1     0.03   0.20   0.12    -0.02  -0.14  -0.09     0.08   0.31   0.17
    39   1     0.19   0.07  -0.10    -0.13  -0.08   0.06     0.30   0.15  -0.16
    40   1    -0.11  -0.02   0.09    -0.06  -0.03   0.04     0.01   0.02   0.00
    41   1     0.12   0.00  -0.09     0.08   0.02  -0.06    -0.10  -0.03   0.07
    42   1    -0.17  -0.19  -0.03    -0.22  -0.23  -0.07     0.18   0.18   0.07
    43   1     0.02   0.01  -0.02     0.09   0.09   0.02    -0.10  -0.10  -0.04
    44   1    -0.08   0.22   0.24    -0.09   0.19   0.20     0.07  -0.11  -0.11
    45   1     0.08  -0.10  -0.13     0.03  -0.04  -0.06     0.00   0.00   0.01
    46   1     0.13   0.06  -0.03    -0.02   0.01  -0.01     0.10   0.02  -0.01
    47   1     0.29  -0.02  -0.11     0.26   0.03  -0.10    -0.06  -0.04   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1224.8508              1242.4046              1277.5573
 Red. masses --      1.3726                 1.3093                 1.2551
 Frc consts  --      1.2132                 1.1907                 1.2069
 IR Inten    --      1.0867                 0.0141                 2.5236
 RamAct Fr= 1--      1.0138                10.0424                 1.1877
  Dep-P Fr= 1--      0.4827                 0.3228                 0.6475
  Dep-U Fr= 1--      0.6511                 0.4880                 0.7861
 Alpha2 Fr= 1--      0.0054                 0.0961                 0.0022
 Beta2  Fr= 1--      0.1100                 0.8168                 0.1556
 AlphaG Fr= 1--     -0.0131                 0.0724                 0.0332
 Gamma2 Fr= 1--     -1.1688                 6.5182                 2.1314
 Delta2 Fr= 1--     -0.6820                -1.3030                 0.7823
 Raman1 Fr= 1--       4.055                 40.170                  4.751
 ROA1   Fr= 1--    -134.030                584.048                229.650
 CID1   Fr= 1--     -33.050                 14.540                 48.340
 Raman2 Fr= 1--       1.320                  9.802                  1.867
 ROA2   Fr= 1--     -22.596                166.859                 44.895
 CID2   Fr= 1--     -17.115                 17.023                 24.044
 Raman3 Fr= 1--       2.640                 19.604                  3.734
 ROA3   Fr= 1--    -134.030                584.048                229.650
 CID3   Fr= 1--     -50.761                 29.792                 61.497
 RC180  Fr= 1--       0.302                 -0.024                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.00   0.00  -0.01    -0.01   0.01   0.01
     2   6     0.04  -0.00  -0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
     3   6    -0.07   0.02   0.04     0.00  -0.01   0.00    -0.01  -0.02  -0.02
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     5   6     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.05   0.05   0.08
     6   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.04  -0.07
     7   6    -0.03   0.03   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     8   6     0.01  -0.00  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.03   0.03  -0.02    -0.03  -0.01  -0.02    -0.01   0.00  -0.00
    10   6    -0.02  -0.00   0.01     0.01  -0.02   0.10     0.00  -0.00  -0.00
    11   6    -0.02   0.01   0.02    -0.01  -0.02  -0.10     0.00  -0.00  -0.00
    12   6     0.02  -0.04  -0.03     0.03  -0.01   0.02     0.00  -0.00  -0.00
    13   6     0.04   0.00  -0.03     0.02  -0.01  -0.03     0.00  -0.00  -0.00
    14   6    -0.06  -0.02   0.05    -0.01  -0.01  -0.00     0.01  -0.00  -0.00
    15   6    -0.03  -0.02   0.01    -0.01  -0.00   0.01     0.00   0.00   0.00
    16   6     0.01  -0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    18   6    -0.01   0.00   0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6     0.02   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.01  -0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    21  40    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.08  -0.23   0.12    -0.01   0.02  -0.02    -0.01   0.02  -0.01
    25   1     0.24  -0.12  -0.15     0.03  -0.00  -0.01    -0.02  -0.00   0.00
    26   1    -0.04  -0.02   0.04     0.02   0.01  -0.02     0.45  -0.02  -0.18
    27   1    -0.19   0.01   0.06     0.03   0.00  -0.01    -0.21   0.01   0.07
    28   1     0.02  -0.06   0.01     0.00  -0.01  -0.00    -0.04   0.21   0.02
    29   1    -0.06   0.04  -0.00     0.00   0.01  -0.00    -0.03  -0.29   0.04
    30   1     0.01   0.06  -0.03    -0.00  -0.01   0.00    -0.03   0.26   0.03
    31   1     0.00  -0.05  -0.03     0.00   0.00   0.00    -0.04  -0.16  -0.02
    32   1     0.13  -0.03  -0.09    -0.03   0.00   0.02     0.43  -0.05  -0.36
    33   1     0.13  -0.03  -0.11    -0.01   0.00   0.00    -0.29   0.04   0.25
    34   1     0.17  -0.19   0.20    -0.29   0.34  -0.47    -0.01   0.01  -0.00
    35   1    -0.16   0.21  -0.21     0.06  -0.02   0.16     0.02  -0.01   0.02
    36   1    -0.14  -0.20  -0.17    -0.08  -0.05  -0.19     0.00  -0.00  -0.00
    37   1     0.15   0.18   0.16     0.31   0.36   0.48     0.01   0.01   0.02
    38   1     0.08   0.25   0.13     0.02   0.03   0.03    -0.01   0.00  -0.00
    39   1     0.27   0.12  -0.15    -0.00   0.01  -0.01    -0.01  -0.00   0.01
    40   1    -0.08  -0.01   0.06    -0.04  -0.01   0.03     0.02   0.00  -0.01
    41   1    -0.14  -0.04   0.10    -0.05   0.00   0.04    -0.00   0.00  -0.00
    42   1     0.05   0.05   0.06    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
    43   1    -0.06  -0.06  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.01
    44   1     0.03  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    45   1     0.03  -0.04  -0.04     0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    46   1     0.10   0.03  -0.02     0.01   0.00  -0.01     0.01  -0.00  -0.01
    47   1     0.16  -0.03  -0.06     0.05  -0.00  -0.02    -0.03   0.00   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1278.2345              1290.5615              1296.8653
 Red. masses --      1.2589                 1.4231                 1.3389
 Frc consts  --      1.2119                 1.3965                 1.3267
 IR Inten    --      3.1311                 1.5080                 1.4843
 RamAct Fr= 1--      2.4373                12.6313                 7.2568
  Dep-P Fr= 1--      0.5217                 0.1982                 0.7428
  Dep-U Fr= 1--      0.6857                 0.3308                 0.8524
 Alpha2 Fr= 1--      0.0108                 0.1724                 0.0009
 Beta2  Fr= 1--      0.2785                 0.6964                 1.0310
 AlphaG Fr= 1--     -0.1248                 0.3013                 0.0123
 Gamma2 Fr= 1--     -2.9074                 9.0501                -6.9924
 Delta2 Fr= 1--     -1.1021                 2.6599                -2.9324
 Raman1 Fr= 1--       9.749                 50.525                 29.027
 ROA1   Fr= 1--    -314.383                953.928               -765.108
 CID1   Fr= 1--     -32.247                 18.880                -26.358
 Raman2 Fr= 1--       3.343                  8.357                 12.372
 ROA2   Fr= 1--     -60.962                195.923               -144.359
 CID2   Fr= 1--     -18.238                 23.444                -11.668
 Raman3 Fr= 1--       6.685                 16.714                 24.744
 ROA3   Fr= 1--    -314.383                953.928               -765.108
 CID3   Fr= 1--     -47.027                 57.073                -30.921
 RC180  Fr= 1--       0.371                 -0.338                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.04   0.01   0.01
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.03
     3   6     0.00   0.00   0.00     0.03  -0.02  -0.02    -0.02   0.02   0.01
     4   6     0.00   0.00   0.00     0.01  -0.00  -0.04    -0.01   0.00   0.04
     5   6    -0.00  -0.00  -0.00    -0.02   0.01   0.03     0.02  -0.01  -0.03
     6   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.04  -0.01  -0.02
     7   6    -0.00   0.00  -0.00     0.01  -0.03   0.02     0.00   0.02  -0.03
     8   6     0.00  -0.00   0.00    -0.04   0.03   0.02     0.03  -0.03  -0.01
     9   6     0.00  -0.00   0.00     0.03   0.03  -0.04    -0.02  -0.03   0.03
    10   6     0.00   0.00   0.00    -0.03   0.00   0.00     0.02  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.03  -0.00  -0.00     0.02   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.02   0.03   0.03
    13   6    -0.01   0.01  -0.03    -0.01   0.01   0.00    -0.03  -0.00   0.01
    14   6     0.02  -0.01   0.02    -0.04  -0.02   0.01    -0.03  -0.01   0.00
    15   6     0.00   0.01   0.00    -0.00  -0.04  -0.02     0.01  -0.03  -0.02
    16   6    -0.01  -0.00   0.00     0.04   0.03  -0.02     0.03   0.03  -0.01
    17   6    -0.02   0.01  -0.01     0.02   0.03  -0.04     0.02   0.03  -0.03
    18   6     0.05  -0.06   0.08    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    19   6    -0.03   0.05  -0.07     0.05  -0.01   0.02     0.04  -0.02   0.02
    20   6    -0.01   0.01   0.01    -0.04   0.03  -0.00    -0.03   0.02  -0.00
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.01  -0.12   0.11    -0.01   0.14  -0.11
    25   1    -0.00   0.00  -0.00    -0.01  -0.03   0.04    -0.03   0.05  -0.01
    26   1    -0.02   0.00   0.01    -0.16   0.03   0.04     0.24  -0.03  -0.07
    27   1     0.01  -0.00  -0.00     0.29  -0.01  -0.10    -0.28   0.01   0.10
    28   1     0.00  -0.01  -0.00    -0.07   0.17  -0.01     0.09  -0.18   0.01
    29   1     0.00   0.01  -0.00     0.16  -0.14   0.01    -0.17   0.12  -0.01
    30   1     0.00  -0.01  -0.00    -0.08  -0.13   0.14     0.08   0.14  -0.14
    31   1     0.00   0.01   0.00     0.04   0.16  -0.05    -0.05  -0.17   0.06
    32   1    -0.02   0.00   0.01     0.01   0.03  -0.05    -0.02  -0.02   0.05
    33   1     0.02  -0.00  -0.01    -0.27   0.05   0.23     0.24  -0.04  -0.20
    34   1     0.01  -0.01  -0.02     0.06  -0.08  -0.00    -0.09   0.11  -0.13
    35   1    -0.01  -0.01  -0.00     0.07  -0.05   0.14     0.04  -0.06   0.04
    36   1     0.01   0.01   0.01    -0.09  -0.05  -0.15     0.03   0.05   0.03
    37   1     0.01   0.01  -0.00    -0.05  -0.07  -0.01    -0.11  -0.12  -0.13
    38   1    -0.00   0.02   0.02     0.01  -0.12  -0.10    -0.01  -0.14  -0.11
    39   1    -0.02  -0.01   0.02     0.01  -0.03  -0.04    -0.03  -0.05  -0.01
    40   1     0.45   0.12  -0.30     0.06   0.05  -0.03     0.09   0.06  -0.05
    41   1    -0.31  -0.08   0.22    -0.22  -0.06   0.16    -0.17  -0.04   0.12
    42   1    -0.07  -0.03  -0.12     0.15   0.15   0.10     0.17   0.17   0.10
    43   1     0.02   0.07   0.23    -0.16  -0.17  -0.04    -0.17  -0.17  -0.04
    44   1     0.03   0.13   0.23     0.02   0.07   0.11     0.01   0.07   0.11
    45   1    -0.12  -0.18  -0.25     0.10  -0.12  -0.12     0.10  -0.11  -0.11
    46   1     0.41  -0.01  -0.18    -0.07   0.05   0.04    -0.12   0.04   0.06
    47   1    -0.21   0.03   0.09     0.37  -0.03  -0.15     0.32  -0.03  -0.13
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1310.6630              1315.4691              1349.4559
 Red. masses --      1.8282                 1.7671                 1.6994
 Frc consts  --      1.8504                 1.8016                 1.8233
 IR Inten    --      4.0182                 1.5265                 0.1477
 RamAct Fr= 1--     12.5346                21.4688                 5.3525
  Dep-P Fr= 1--      0.1571                 0.0535                 0.2787
  Dep-U Fr= 1--      0.2715                 0.1016                 0.4359
 Alpha2 Fr= 1--      0.1903                 0.4205                 0.0585
 Beta2  Fr= 1--      0.5672                 0.3637                 0.3888
 AlphaG Fr= 1--      0.1429                 0.6277                -0.5338
 Gamma2 Fr= 1--     -2.5375                 1.8523                 4.4749
 Delta2 Fr= 1--     -0.5477                -1.1379                -2.1563
 Raman1 Fr= 1--      50.138                 85.875                 21.410
 ROA1   Fr= 1--    -261.124                141.406                360.590
 CID1   Fr= 1--      -5.208                  1.647                 16.842
 Raman2 Fr= 1--       6.806                  4.364                  4.666
 ROA2   Fr= 1--     -56.518                 53.557                124.648
 CID2   Fr= 1--      -8.304                 12.272                 26.715
 Raman3 Fr= 1--      13.612                  8.728                  9.332
 ROA3   Fr= 1--    -261.124                141.406                360.590
 CID3   Fr= 1--     -19.183                 16.201                 38.641
 RC180  Fr= 1--      -0.457                 -0.797                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.03     0.00  -0.00   0.01    -0.07  -0.00   0.05
     2   6    -0.04  -0.03   0.06    -0.01   0.01   0.00    -0.04   0.01   0.04
     3   6    -0.09   0.01   0.06     0.02  -0.01  -0.01    -0.00  -0.00   0.01
     4   6    -0.02  -0.00  -0.03     0.00   0.00   0.01     0.01   0.00  -0.01
     5   6     0.01  -0.02   0.03    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
     6   6     0.02   0.04   0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
     7   6    -0.05   0.11  -0.04     0.01  -0.02  -0.00    -0.02   0.05  -0.02
     8   6     0.10  -0.06  -0.05    -0.02   0.01   0.01     0.02  -0.06   0.03
     9   6     0.01  -0.10   0.05     0.00   0.01  -0.01     0.06  -0.04  -0.02
    10   6     0.03  -0.00   0.02    -0.02  -0.01   0.00    -0.07   0.04  -0.04
    11   6    -0.01   0.01   0.01     0.03  -0.00   0.01     0.07   0.04   0.03
    12   6     0.01   0.03   0.00     0.01   0.09   0.05    -0.07  -0.04   0.02
    13   6    -0.03   0.00   0.02    -0.03   0.04   0.05     0.05   0.01  -0.02
    14   6    -0.02  -0.00   0.02    -0.08  -0.03   0.07     0.00  -0.01  -0.02
    15   6    -0.01  -0.02  -0.02    -0.06  -0.11  -0.03     0.01   0.04   0.03
    16   6     0.02   0.01  -0.01     0.10   0.05  -0.05    -0.01  -0.05  -0.03
    17   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.05  -0.00  -0.04
    18   6    -0.00  -0.01  -0.01     0.01   0.00  -0.03    -0.00   0.02   0.02
    19   6     0.00   0.01   0.00    -0.02   0.04  -0.01    -0.01   0.01  -0.01
    20   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.06   0.11  -0.17    -0.02  -0.00   0.02    -0.03   0.12  -0.07
    25   1     0.22  -0.02  -0.21    -0.05   0.01   0.04    -0.00   0.05  -0.03
    26   1    -0.05   0.03  -0.02     0.08  -0.01  -0.02     0.41  -0.03  -0.15
    27   1     0.31  -0.00  -0.10    -0.06  -0.00   0.02     0.27  -0.01  -0.08
    28   1     0.02   0.03   0.01     0.03  -0.04   0.00     0.20  -0.20   0.02
    29   1     0.15  -0.06  -0.01    -0.05   0.03  -0.00    -0.14   0.16  -0.00
    30   1    -0.13  -0.23   0.22     0.03   0.04  -0.05     0.00  -0.09   0.01
    31   1     0.12   0.26  -0.21    -0.02  -0.06   0.04     0.01   0.02  -0.02
    32   1     0.28  -0.02  -0.27    -0.06   0.00   0.06    -0.06   0.01   0.05
    33   1     0.00  -0.01   0.01     0.01   0.00  -0.01     0.01  -0.00  -0.01
    34   1    -0.14   0.17  -0.18    -0.05   0.02  -0.08     0.04  -0.06   0.01
    35   1    -0.15   0.13  -0.23     0.10  -0.06   0.16     0.16  -0.08   0.27
    36   1     0.04   0.02   0.08    -0.17  -0.15  -0.26    -0.16  -0.09  -0.26
    37   1    -0.09  -0.08  -0.16    -0.11  -0.14  -0.12    -0.03  -0.05   0.01
    38   1     0.01  -0.03  -0.03     0.08  -0.06  -0.14     0.02   0.11   0.06
    39   1     0.05  -0.00  -0.04     0.27   0.04  -0.21     0.01   0.05   0.03
    40   1     0.05   0.01  -0.04     0.05  -0.02  -0.03    -0.26  -0.07   0.19
    41   1     0.06   0.01  -0.05     0.23   0.05  -0.18    -0.19  -0.05   0.14
    42   1     0.03   0.03  -0.00    -0.05  -0.04  -0.07    -0.19  -0.19  -0.03
    43   1    -0.01  -0.01  -0.01     0.11   0.10  -0.00     0.12   0.10   0.03
    44   1     0.02  -0.04  -0.04     0.08  -0.18  -0.21    -0.02   0.02   0.02
    45   1    -0.01   0.02   0.03    -0.12   0.15   0.16    -0.04  -0.03  -0.04
    46   1     0.07  -0.00  -0.02     0.46  -0.03  -0.19     0.03  -0.01  -0.02
    47   1    -0.01  -0.00   0.00    -0.08   0.02   0.03    -0.01   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1356.7759              1361.7742              1369.4842
 Red. masses --      1.4449                 1.4369                 1.4830
 Frc consts  --      1.5671                 1.5700                 1.6387
 IR Inten    --      0.7954                 4.3818                 1.1303
 RamAct Fr= 1--      1.2224                 3.5979                 5.3029
  Dep-P Fr= 1--      0.5771                 0.7458                 0.5842
  Dep-U Fr= 1--      0.7318                 0.8544                 0.7376
 Alpha2 Fr= 1--      0.0040                 0.0003                 0.0164
 Beta2  Fr= 1--      0.1491                 0.5123                 0.6519
 AlphaG Fr= 1--     -0.0122                 0.0128                 0.0372
 Gamma2 Fr= 1--     -1.0024                -0.6826                 5.1554
 Delta2 Fr= 1--     -0.3521                 0.4903                 3.3416
 Raman1 Fr= 1--       4.890                 14.392                 21.212
 ROA1   Fr= 1--    -107.498                -49.845                601.853
 CID1   Fr= 1--     -21.985                 -3.463                 28.374
 Raman2 Fr= 1--       1.789                  6.148                  7.822
 ROA2   Fr= 1--     -21.240                -20.306                 96.998
 CID2   Fr= 1--     -11.871                 -3.303                 12.400
 Raman3 Fr= 1--       3.578                 12.296                 15.645
 ROA3   Fr= 1--    -107.498                -49.845                601.853
 CID3   Fr= 1--     -30.041                 -4.054                 38.470
 RC180  Fr= 1--       0.464                  0.709                  0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.00   0.06    -0.03   0.00   0.02    -0.04   0.01   0.03
     2   6     0.00  -0.00   0.01     0.02  -0.02   0.00     0.01   0.02  -0.02
     3   6     0.00   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.02   0.01
     4   6     0.07  -0.01  -0.03     0.06  -0.01  -0.03    -0.06   0.02   0.03
     5   6    -0.03   0.01  -0.01    -0.02   0.01   0.01     0.00  -0.01  -0.01
     6   6     0.02   0.00  -0.03    -0.00   0.00  -0.02     0.04  -0.03   0.00
     7   6    -0.04   0.01   0.03    -0.03  -0.00   0.04     0.02  -0.00  -0.02
     8   6     0.00   0.00  -0.01     0.01   0.02  -0.03    -0.02  -0.02   0.03
     9   6     0.03  -0.01  -0.03    -0.01   0.01  -0.00     0.03  -0.01  -0.01
    10   6     0.01  -0.01   0.02     0.05  -0.03   0.03    -0.02   0.05  -0.03
    11   6    -0.02  -0.01   0.00    -0.03  -0.01  -0.03    -0.04  -0.06  -0.05
    12   6     0.05   0.02  -0.03    -0.02   0.00   0.02     0.03   0.01  -0.01
    13   6    -0.02  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    14   6     0.00   0.00  -0.00     0.00   0.01   0.02     0.01   0.02   0.01
    15   6    -0.02  -0.02   0.00     0.04   0.00  -0.04     0.02  -0.01  -0.03
    16   6     0.00   0.01   0.01    -0.00   0.01   0.01    -0.01   0.04   0.04
    17   6    -0.07   0.00   0.04     0.07   0.00  -0.04    -0.02   0.01   0.02
    18   6     0.01  -0.02  -0.02    -0.02   0.02   0.01    -0.01   0.00  -0.01
    19   6    -0.00  -0.02   0.01     0.02   0.02  -0.02     0.03  -0.01  -0.03
    20   6     0.04   0.01  -0.02    -0.08  -0.02   0.04    -0.06  -0.01   0.03
    21  40     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.03  -0.11   0.05     0.05  -0.13   0.05    -0.05   0.08  -0.02
    25   1     0.11  -0.07  -0.05     0.11  -0.08  -0.04    -0.10   0.06   0.05
    26   1     0.43  -0.05  -0.15     0.13  -0.02  -0.04     0.20  -0.04  -0.06
    27   1     0.27   0.00  -0.09     0.09   0.00  -0.04     0.05   0.01  -0.01
    28   1     0.14  -0.11   0.01     0.01  -0.00  -0.01     0.03   0.00   0.01
    29   1    -0.17   0.13   0.01    -0.03  -0.04   0.02    -0.18   0.31  -0.03
    30   1     0.08   0.03  -0.09     0.08   0.11  -0.11    -0.07  -0.19   0.11
    31   1    -0.06  -0.06   0.08    -0.06  -0.09   0.09     0.08   0.20  -0.13
    32   1    -0.25   0.03   0.22    -0.19   0.02   0.18     0.15   0.00  -0.15
    33   1    -0.15   0.03   0.12    -0.13   0.02   0.10     0.11  -0.01  -0.11
    34   1     0.01  -0.01  -0.00    -0.01   0.04  -0.08     0.14  -0.13   0.26
    35   1    -0.11   0.12  -0.16    -0.18   0.11  -0.27     0.04  -0.04   0.07
    36   1    -0.01  -0.06   0.00     0.19   0.13   0.27     0.11   0.08   0.18
    37   1     0.01   0.02   0.00    -0.05  -0.02  -0.03     0.14   0.14   0.27
    38   1    -0.00   0.02   0.01    -0.04  -0.12  -0.06    -0.05  -0.12  -0.05
    39   1     0.04   0.01  -0.02    -0.11  -0.07   0.04    -0.10  -0.08   0.03
    40   1     0.28   0.08  -0.19    -0.27  -0.09   0.16     0.06   0.03  -0.03
    41   1     0.19   0.05  -0.14    -0.17  -0.06   0.14     0.05   0.03  -0.04
    42   1     0.16   0.15   0.02    -0.11  -0.09  -0.01     0.13   0.13   0.05
    43   1    -0.13  -0.10  -0.00     0.10   0.06  -0.03    -0.06  -0.08  -0.06
    44   1    -0.03   0.04   0.05     0.07  -0.09  -0.11     0.05  -0.05  -0.04
    45   1     0.07  -0.01  -0.02    -0.10   0.07   0.11    -0.06   0.17   0.22
    46   1    -0.21   0.02   0.09     0.37  -0.04  -0.16     0.27  -0.03  -0.12
    47   1    -0.09  -0.00   0.04     0.18  -0.01  -0.08     0.13  -0.01  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1370.8648              1374.9423              1375.3598
 Red. masses --      1.5332                 1.7070                 1.5263
 Frc consts  --      1.6976                 1.9013                 1.7011
 IR Inten    --      1.3649                 0.4529                 1.5698
 RamAct Fr= 1--     12.3060                 9.5891                 7.5402
  Dep-P Fr= 1--      0.3367                 0.3497                 0.2081
  Dep-U Fr= 1--      0.5038                 0.5182                 0.3446
 Alpha2 Fr= 1--      0.1127                 0.0843                 0.1002
 Beta2  Fr= 1--      1.0332                 0.8282                 0.4330
 AlphaG Fr= 1--     -0.0851                 0.0591                -0.1020
 Gamma2 Fr= 1--     -3.9544                -3.2676                -1.9609
 Delta2 Fr= 1--     -1.5349                -2.1595                -1.4769
 Raman1 Fr= 1--      49.224                 38.356                 30.161
 ROA1   Fr= 1--    -428.740               -382.799               -235.511
 CID1   Fr= 1--      -8.710                 -9.980                 -7.808
 Raman2 Fr= 1--      12.398                  9.938                  5.196
 ROA2   Fr= 1--     -82.627                -61.147                -35.248
 CID2   Fr= 1--      -6.664                 -6.153                 -6.783
 Raman3 Fr= 1--      24.797                 19.876                 10.392
 ROA3   Fr= 1--    -428.740               -382.799               -235.511
 CID3   Fr= 1--     -17.290                -19.259                -22.662
 RC180  Fr= 1--       0.008                  0.036                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.00   0.02  -0.01     0.01  -0.01  -0.00
     2   6     0.01   0.04  -0.02     0.01  -0.03   0.01    -0.01   0.02  -0.00
     3   6     0.01  -0.03   0.02    -0.00   0.02  -0.01     0.00  -0.01   0.01
     4   6    -0.03   0.02   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6    -0.03  -0.03   0.02    -0.03  -0.03   0.02     0.01   0.01  -0.01
     6   6     0.08  -0.09  -0.00     0.03  -0.04  -0.01    -0.02   0.02   0.00
     7   6     0.05  -0.05  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.01
     8   6    -0.04   0.06  -0.00     0.02  -0.00  -0.02    -0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.02    -0.02   0.00   0.02     0.01  -0.00  -0.02
    10   6     0.03  -0.06   0.05     0.01   0.02  -0.01     0.00  -0.03   0.03
    11   6     0.02   0.05   0.03    -0.01  -0.02  -0.04     0.03   0.05   0.05
    12   6    -0.01   0.00  -0.01    -0.04  -0.02   0.04     0.01  -0.01  -0.04
    13   6    -0.01  -0.01  -0.00     0.00   0.06   0.04    -0.00  -0.05  -0.03
    14   6    -0.00   0.01   0.01    -0.02  -0.06  -0.03     0.02   0.03   0.02
    15   6     0.02   0.02  -0.00    -0.07  -0.04   0.03     0.03   0.03  -0.00
    16   6    -0.01  -0.03  -0.01     0.05   0.04  -0.03    -0.03  -0.03   0.02
    17   6     0.01   0.00  -0.01     0.05  -0.01  -0.03    -0.01   0.02   0.02
    18   6     0.01   0.01   0.01    -0.08  -0.04   0.01    -0.05  -0.01  -0.00
    19   6    -0.01   0.01   0.02     0.01  -0.05  -0.08     0.04  -0.08  -0.11
    20   6     0.01  -0.00  -0.01     0.07   0.03  -0.01    -0.02  -0.00   0.04
    21  40     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.10   0.08     0.02  -0.00  -0.02    -0.01  -0.03   0.03
    25   1    -0.07   0.01   0.06     0.04  -0.02  -0.02    -0.02   0.01   0.02
    26   1     0.13  -0.02  -0.04     0.04  -0.02  -0.02    -0.05   0.02   0.02
    27   1    -0.14   0.02   0.03    -0.03   0.02  -0.00    -0.02  -0.01   0.01
    28   1    -0.15   0.30  -0.02    -0.11   0.21  -0.01     0.04  -0.08   0.00
    29   1    -0.28   0.42  -0.04    -0.09   0.13  -0.01     0.05  -0.08   0.01
    30   1     0.00  -0.04  -0.00     0.06   0.09  -0.08    -0.02  -0.02   0.03
    31   1     0.11   0.35  -0.19     0.04   0.16  -0.08    -0.02  -0.08   0.04
    32   1     0.04   0.02  -0.06    -0.04   0.02   0.03     0.00  -0.01   0.00
    33   1     0.04   0.01  -0.08     0.01   0.01  -0.03    -0.02   0.00   0.03
    34   1    -0.12   0.12  -0.26     0.03  -0.02   0.08    -0.09   0.08  -0.18
    35   1    -0.14   0.12  -0.20     0.02  -0.04   0.02    -0.03   0.05  -0.04
    36   1    -0.06  -0.08  -0.09     0.14   0.12   0.19    -0.17  -0.15  -0.25
    37   1    -0.13  -0.12  -0.23     0.02   0.04   0.12    -0.08  -0.08  -0.20
    38   1     0.00   0.06   0.03     0.05  -0.04  -0.06    -0.02   0.07   0.06
    39   1    -0.00   0.01   0.01     0.15   0.07  -0.08    -0.06  -0.01   0.05
    40   1    -0.05  -0.02   0.02    -0.14  -0.05   0.11    -0.03   0.02   0.03
    41   1    -0.05  -0.03   0.04    -0.01   0.02  -0.00    -0.01   0.03   0.01
    42   1    -0.08  -0.08  -0.04     0.12   0.12   0.13     0.26   0.26   0.18
    43   1    -0.01  -0.00   0.01     0.28   0.27   0.10    -0.02  -0.03  -0.05
    44   1    -0.00  -0.04  -0.05    -0.09   0.36   0.43    -0.03   0.22   0.28
    45   1     0.02  -0.07  -0.09    -0.05   0.08   0.09    -0.11   0.36   0.44
    46   1    -0.07   0.01   0.03    -0.11   0.02   0.04     0.18  -0.03  -0.08
    47   1    -0.02  -0.01   0.00    -0.19   0.07   0.09    -0.10   0.05   0.05
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1377.4098              1387.1761              1392.0722
 Red. masses --      1.6630                 1.6666                 1.5793
 Frc consts  --      1.8590                 1.8895                 1.8031
 IR Inten    --      1.1936                 0.5906                 0.7540
 RamAct Fr= 1--     33.5168                 3.3797                 1.4454
  Dep-P Fr= 1--      0.2123                 0.2785                 0.1683
  Dep-U Fr= 1--      0.3503                 0.4356                 0.2881
 Alpha2 Fr= 1--      0.4404                 0.0369                 0.0213
 Beta2  Fr= 1--      1.9568                 0.2454                 0.0694
 AlphaG Fr= 1--      0.0662                 0.0139                 0.1435
 Gamma2 Fr= 1--      8.1167                -1.1657                 1.6434
 Delta2 Fr= 1--     -1.8482                -0.2645                 0.1440
 Raman1 Fr= 1--     134.067                 13.519                  5.782
 ROA1   Fr= 1--     720.064               -120.369                162.370
 CID1   Fr= 1--       5.371                 -8.904                 28.083
 Raman2 Fr= 1--      23.482                  2.945                  0.833
 ROA2   Fr= 1--     209.587                -25.860                 38.289
 CID2   Fr= 1--       8.926                 -8.782                 45.978
 Raman3 Fr= 1--      46.964                  5.889                  1.666
 ROA3   Fr= 1--     720.064               -120.369                162.370
 CID3   Fr= 1--      15.332                -20.438                 97.487
 RC180  Fr= 1--      -0.299                 -0.129                 -0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.04    -0.03  -0.04   0.02     0.00   0.00  -0.00
     2   6     0.00  -0.07   0.05    -0.02   0.05  -0.02    -0.00  -0.00   0.00
     3   6    -0.02   0.05  -0.01     0.01  -0.04   0.03    -0.00   0.00   0.00
     4   6     0.05   0.00  -0.02    -0.03   0.05   0.02     0.00  -0.00  -0.00
     5   6    -0.06  -0.06   0.07    -0.02  -0.13   0.08    -0.00   0.00   0.00
     6   6     0.04  -0.05  -0.02    -0.03   0.09  -0.04     0.00  -0.00   0.00
     7   6    -0.05   0.04   0.02     0.05  -0.02  -0.04    -0.00   0.01  -0.00
     8   6     0.05  -0.03  -0.04    -0.04   0.01   0.04     0.00  -0.01   0.00
     9   6    -0.03  -0.01   0.05     0.05  -0.02  -0.04     0.00  -0.00   0.00
    10   6    -0.03   0.03  -0.05     0.00   0.00   0.02    -0.01   0.00  -0.01
    11   6     0.02   0.00   0.02    -0.01  -0.01  -0.01     0.00   0.00   0.02
    12   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.04   0.01  -0.04
    13   6     0.01  -0.03  -0.03    -0.00   0.00   0.00    -0.02  -0.06  -0.01
    14   6     0.01   0.02   0.01    -0.00  -0.00   0.00     0.01   0.04   0.03
    15   6     0.03   0.02  -0.01    -0.00  -0.01  -0.00     0.04   0.01  -0.03
    16   6    -0.03  -0.02   0.01     0.00   0.01   0.00    -0.03   0.01   0.04
    17   6    -0.03   0.01   0.02     0.00   0.00   0.00     0.01   0.02   0.04
    18   6     0.02   0.02  -0.00    -0.00  -0.01  -0.00    -0.09  -0.11  -0.05
    19   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.02   0.08   0.04
    20   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.04  -0.02  -0.01
    21  40    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.05   0.05  -0.07    -0.05   0.00   0.04    -0.00   0.01  -0.01
    25   1     0.12  -0.04  -0.08    -0.13   0.08   0.07     0.00   0.00  -0.01
    26   1    -0.05   0.01  -0.01     0.03   0.07  -0.03    -0.00   0.00  -0.00
    27   1    -0.06   0.03  -0.02     0.20  -0.03  -0.08    -0.01   0.00  -0.00
    28   1    -0.22   0.40  -0.03     0.14  -0.09   0.01    -0.01   0.01  -0.00
    29   1    -0.03  -0.01   0.00     0.18  -0.39   0.07    -0.00   0.00  -0.00
    30   1     0.18   0.37  -0.27     0.18   0.48  -0.32     0.00   0.00  -0.00
    31   1     0.05   0.23  -0.12     0.12   0.23  -0.27    -0.00  -0.00   0.01
    32   1    -0.17   0.02   0.15    -0.01  -0.07   0.02    -0.01   0.00   0.01
    33   1     0.00   0.02  -0.04     0.23   0.00  -0.18    -0.01   0.00   0.01
    34   1     0.00  -0.02   0.09     0.03  -0.02  -0.02    -0.01   0.00   0.02
    35   1     0.20  -0.15   0.28    -0.10   0.08  -0.12     0.05  -0.00   0.06
    36   1    -0.13  -0.08  -0.18     0.03   0.02   0.05    -0.10  -0.10  -0.13
    37   1     0.04   0.02   0.02     0.01   0.02   0.02     0.02   0.01  -0.01
    38   1    -0.02   0.03   0.04    -0.00  -0.01  -0.01    -0.05  -0.03   0.01
    39   1    -0.06  -0.02   0.04     0.00  -0.00  -0.01    -0.10  -0.06   0.04
    40   1     0.09   0.04  -0.04    -0.01  -0.01  -0.00    -0.14  -0.08   0.02
    41   1     0.02   0.02  -0.02     0.01  -0.00  -0.01     0.18   0.05  -0.08
    42   1     0.03   0.03  -0.00     0.01   0.01   0.00     0.23   0.23   0.06
    43   1    -0.14  -0.14  -0.07     0.02   0.02   0.01     0.45   0.49   0.23
    44   1     0.03  -0.08  -0.10    -0.00   0.01   0.01     0.08  -0.03  -0.01
    45   1    -0.01   0.08   0.10     0.00  -0.02  -0.02    -0.00  -0.28  -0.31
    46   1     0.11  -0.02  -0.05    -0.01   0.00   0.01     0.04   0.05   0.05
    47   1     0.06  -0.01  -0.03    -0.01   0.00   0.00     0.13   0.00  -0.09
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1409.7560              1411.9643              1467.8954
 Red. masses --      2.5840                 2.6577                 1.8940
 Frc consts  --      3.0257                 3.1218                 2.4045
 IR Inten    --      4.4355                 3.6542                 1.1600
 RamAct Fr= 1--      6.1725                 7.0333                17.4361
  Dep-P Fr= 1--      0.2022                 0.1662                 0.2462
  Dep-U Fr= 1--      0.3364                 0.2851                 0.3951
 Alpha2 Fr= 1--      0.0833                 0.1043                 0.2088
 Beta2  Fr= 1--      0.3461                 0.3341                 1.1483
 AlphaG Fr= 1--     -0.5874                -0.8055                -0.9893
 Gamma2 Fr= 1--      0.3877                -0.0133                -0.2228
 Delta2 Fr= 1--      1.1718                 0.5255                -0.9903
 Raman1 Fr= 1--      24.690                 28.133                 69.744
 ROA1   Fr= 1--      74.715                 15.537                -53.075
 CID1   Fr= 1--       3.026                  0.552                 -0.761
 Raman2 Fr= 1--       4.153                  4.010                 13.780
 ROA2   Fr= 1--      -0.070                 -4.523                  2.577
 CID2   Fr= 1--      -0.017                 -1.128                  0.187
 Raman3 Fr= 1--       8.306                  8.020                 27.559
 ROA3   Fr= 1--      74.715                 15.537                -53.075
 CID3   Fr= 1--       8.995                  1.937                 -1.926
 RC180  Fr= 1--      -0.327                 -0.430                 -0.210
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.09  -0.01  -0.03     0.02   0.03  -0.04
     2   6     0.01  -0.01  -0.01    -0.12   0.13   0.02    -0.07  -0.05   0.09
     3   6     0.00   0.01  -0.01    -0.03  -0.12   0.14     0.04   0.03  -0.05
     4   6    -0.01  -0.00   0.01     0.08   0.01  -0.09    -0.00  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.01  -0.05   0.00    -0.02  -0.02   0.00
     7   6     0.00  -0.02   0.01     0.03   0.07  -0.10    -0.02   0.01   0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.08   0.09    -0.01  -0.06   0.05
     9   6    -0.02   0.00   0.01     0.11  -0.05  -0.09     0.05   0.07  -0.09
    10   6     0.02  -0.02   0.01    -0.01   0.02   0.01     0.00  -0.01   0.04
    11   6     0.02   0.02  -0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.03
    12   6    -0.10  -0.04   0.07    -0.01  -0.01   0.01    -0.03   0.06   0.06
    13   6     0.12   0.12  -0.01     0.01   0.02   0.00     0.04  -0.04  -0.06
    14   6     0.03  -0.12  -0.13     0.00  -0.02  -0.02    -0.03   0.02   0.04
    15   6    -0.02   0.08   0.10    -0.01   0.00   0.01     0.02   0.01  -0.01
    16   6    -0.01  -0.09  -0.08     0.00   0.00  -0.01     0.00  -0.05  -0.04
    17   6    -0.08  -0.02   0.06    -0.01  -0.00   0.01    -0.02   0.03   0.03
    18   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.02
    19   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.09   0.02   0.06    -0.01   0.00   0.01     0.01  -0.02  -0.02
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1     0.01  -0.05   0.03    -0.08   0.19  -0.09    -0.05   0.08  -0.02
    25   1     0.00  -0.02   0.01    -0.02   0.12  -0.07    -0.03   0.02   0.02
    26   1     0.01  -0.02   0.00    -0.17   0.12   0.04    -0.01  -0.11   0.01
    27   1     0.04  -0.00   0.01    -0.43   0.01   0.08     0.02   0.01   0.11
    28   1     0.02  -0.02   0.00    -0.15   0.17  -0.03     0.09   0.13   0.12
    29   1     0.01  -0.01   0.00    -0.07   0.05  -0.00     0.16   0.07  -0.13
    30   1    -0.00  -0.01   0.00     0.01   0.05  -0.01     0.05  -0.00  -0.03
    31   1     0.00   0.00  -0.01    -0.04  -0.04   0.10    -0.01  -0.02  -0.04
    32   1     0.03   0.00  -0.03    -0.32  -0.05   0.25     0.06   0.49  -0.07
    33   1     0.03  -0.01  -0.03    -0.29   0.06   0.35    -0.22   0.06  -0.43
    34   1    -0.07   0.07  -0.05     0.06  -0.05   0.04     0.13  -0.11  -0.09
    35   1    -0.02   0.06  -0.06    -0.10   0.13  -0.13    -0.14  -0.01  -0.15
    36   1     0.08   0.10   0.09     0.05   0.07   0.09     0.13  -0.06   0.13
    37   1    -0.08  -0.06  -0.06     0.04   0.05   0.06    -0.14  -0.10   0.10
    38   1     0.08   0.20   0.11     0.01  -0.00  -0.00     0.04   0.08   0.03
    39   1    -0.01   0.11   0.09     0.00   0.01   0.00     0.02   0.01  -0.01
    40   1     0.24   0.09  -0.08     0.04   0.01  -0.02    -0.07  -0.07  -0.11
    41   1     0.31   0.15  -0.26     0.04   0.01  -0.03     0.07  -0.13   0.03
    42   1     0.17   0.18   0.03     0.01   0.02  -0.00     0.06  -0.03   0.09
    43   1     0.07   0.08   0.02     0.00  -0.00  -0.00    -0.08   0.03   0.08
    44   1     0.08  -0.10  -0.06     0.01  -0.01  -0.01    -0.01   0.01  -0.01
    45   1     0.03  -0.01  -0.02     0.01   0.00   0.00    -0.02   0.00   0.02
    46   1     0.25  -0.06  -0.20     0.03  -0.01  -0.03     0.04   0.11   0.15
    47   1     0.46  -0.06  -0.16     0.06  -0.01  -0.02    -0.08   0.16  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1470.0922              1475.7145              1478.6908
 Red. masses --      2.0393                 2.2847                 2.0221
 Frc consts  --      2.5967                 2.9315                 2.6050
 IR Inten    --      2.9983                 4.9269                 2.8716
 RamAct Fr= 1--      5.0512                29.5004                25.2303
  Dep-P Fr= 1--      0.7402                 0.3560                 0.3232
  Dep-U Fr= 1--      0.8507                 0.5251                 0.4885
 Alpha2 Fr= 1--      0.0008                 0.2539                 0.2411
 Beta2  Fr= 1--      0.7162                 2.5819                 2.0541
 AlphaG Fr= 1--     -0.0266                 0.6958                 0.0132
 Gamma2 Fr= 1--     -4.2017               -25.4129                -6.1150
 Delta2 Fr= 1--      2.0449                -4.0325                -1.8097
 Raman1 Fr= 1--      20.205                118.002                100.921
 ROA1   Fr= 1--    -337.927              -2568.676               -644.952
 CID1   Fr= 1--     -16.725                -21.768                 -6.391
 Raman2 Fr= 1--       8.594                 30.983                 24.649
 ROA2   Fr= 1--    -117.200               -577.649               -132.283
 CID2   Fr= 1--     -13.637                -18.644                 -5.367
 Raman3 Fr= 1--      17.188                 61.966                 49.298
 ROA3   Fr= 1--    -337.927              -2568.676               -644.952
 CID3   Fr= 1--     -19.660                -41.453                -13.083
 RC180  Fr= 1--       0.701                  0.050                 -0.023
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04  -0.03   0.05    -0.02  -0.04   0.03     0.01   0.00  -0.01
     3   6     0.03   0.02  -0.03     0.13  -0.04  -0.08    -0.01   0.00   0.01
     4   6     0.00  -0.04   0.04    -0.08   0.07  -0.01     0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
     6   6    -0.02  -0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
     7   6    -0.01   0.00   0.00    -0.10   0.05   0.05     0.01  -0.00  -0.01
     8   6    -0.01  -0.03   0.03     0.03  -0.12   0.06    -0.00   0.01  -0.00
     9   6     0.03   0.04  -0.06    -0.02   0.16  -0.08     0.00  -0.01   0.01
    10   6    -0.00  -0.02   0.02     0.02  -0.04   0.04    -0.01   0.02  -0.00
    11   6     0.00   0.03   0.04     0.00   0.02   0.00    -0.03  -0.05  -0.01
    12   6     0.05  -0.11  -0.11     0.01   0.00  -0.01     0.06   0.14   0.04
    13   6    -0.07   0.07   0.09    -0.01   0.00   0.01    -0.02  -0.02   0.02
    14   6     0.06  -0.03  -0.07    -0.00  -0.01  -0.00    -0.12  -0.06   0.05
    15   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.10   0.05  -0.04
    16   6    -0.00   0.08   0.06    -0.00  -0.00   0.00    -0.03  -0.11  -0.04
    17   6     0.03  -0.04  -0.04     0.00  -0.01  -0.00     0.01  -0.03  -0.02
    18   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    19   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.00  -0.02
    20   6    -0.02   0.04   0.03     0.00   0.01   0.00     0.06   0.07   0.00
    21  40     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.02   0.03  -0.00    -0.04   0.20  -0.09     0.00  -0.01   0.01
    25   1    -0.02   0.01   0.01     0.15  -0.07  -0.07    -0.02   0.01   0.00
    26   1     0.01   0.01  -0.01     0.01   0.09  -0.02    -0.01   0.03   0.00
    27   1     0.00   0.01  -0.01    -0.03   0.02  -0.10    -0.01   0.00  -0.02
    28   1     0.08   0.08   0.09    -0.02   0.03  -0.01    -0.01  -0.01  -0.01
    29   1     0.11   0.05  -0.09    -0.02   0.03  -0.00    -0.01  -0.01   0.01
    30   1     0.04  -0.01  -0.02    -0.21   0.14   0.05     0.02  -0.01  -0.00
    31   1    -0.01  -0.02  -0.04     0.08   0.17   0.15    -0.01  -0.02  -0.01
    32   1     0.04   0.41  -0.05     0.01  -0.51   0.00    -0.00   0.06  -0.00
    33   1    -0.20   0.06  -0.35     0.39  -0.09   0.34    -0.05   0.01  -0.04
    34   1     0.01  -0.02  -0.04     0.10  -0.09  -0.12     0.10  -0.07  -0.02
    35   1    -0.06   0.07  -0.07    -0.11  -0.07  -0.12    -0.04  -0.11  -0.01
    36   1    -0.15  -0.02  -0.16     0.02  -0.11   0.00    -0.00   0.01   0.03
    37   1     0.12   0.10  -0.11    -0.08  -0.06   0.00     0.02  -0.00   0.02
    38   1    -0.06  -0.12  -0.04    -0.00   0.01   0.01     0.02   0.18   0.10
    39   1    -0.01  -0.01   0.01    -0.01  -0.00   0.01    -0.17  -0.07   0.08
    40   1     0.10   0.08   0.13     0.03   0.03   0.04     0.05   0.13   0.23
    41   1    -0.07   0.17  -0.05    -0.01   0.06  -0.02    -0.09   0.24  -0.05
    42   1    -0.08   0.06  -0.15    -0.01   0.03  -0.04    -0.02   0.08  -0.09
    43   1     0.14  -0.06  -0.14     0.04  -0.01  -0.03     0.13   0.00  -0.08
    44   1     0.02  -0.03  -0.00     0.02  -0.02   0.02     0.18  -0.12   0.24
    45   1     0.02  -0.01  -0.02     0.03   0.01  -0.01     0.29   0.14  -0.05
    46   1    -0.07  -0.20  -0.28    -0.03  -0.05  -0.07    -0.17  -0.24  -0.34
    47   1     0.15  -0.30   0.08     0.02  -0.08   0.03    -0.00  -0.40   0.20
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1482.5548              1484.5993              1490.4765
 Red. masses --      1.1201                 1.1029                 1.2614
 Frc consts  --      1.4506                 1.4322                 1.6511
 IR Inten    --      7.9749                10.1178                 2.4902
 RamAct Fr= 1--      7.6730                10.1632                 5.1621
  Dep-P Fr= 1--      0.6703                 0.6517                 0.6781
  Dep-U Fr= 1--      0.8026                 0.7891                 0.8082
 Alpha2 Fr= 1--      0.0108                 0.0179                 0.0066
 Beta2  Fr= 1--      1.0264                 1.3367                 0.6953
 AlphaG Fr= 1--     -0.1416                -0.1678                -0.0370
 Gamma2 Fr= 1--      2.1151                -6.5047                 0.6959
 Delta2 Fr= 1--      1.6809                -0.2645                -0.3284
 Raman1 Fr= 1--      30.692                 40.653                 20.649
 ROA1   Fr= 1--     256.840               -632.913                 56.299
 CID1   Fr= 1--       8.368                -15.569                  2.727
 Raman2 Fr= 1--      12.317                 16.040                  8.344
 ROA2   Fr= 1--      37.316               -153.997                 19.329
 CID2   Fr= 1--       3.030                 -9.601                  2.317
 Raman3 Fr= 1--      24.634                 32.080                 16.688
 ROA3   Fr= 1--     256.840               -632.913                 56.299
 CID3   Fr= 1--      10.426                -19.729                  3.374
 RC180  Fr= 1--       0.605                  0.578                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.05    -0.01   0.01  -0.01     0.00   0.02  -0.03
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02   0.04
     3   6     0.02  -0.02  -0.01    -0.00  -0.00   0.00    -0.02   0.05  -0.02
     4   6    -0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     6   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     7   6    -0.02   0.01   0.02     0.00   0.00  -0.00     0.02  -0.02  -0.00
     8   6     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.01
     9   6    -0.01  -0.00   0.01    -0.00   0.01  -0.01     0.04  -0.03  -0.01
    10   6    -0.00   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.05   0.03
    11   6    -0.00  -0.03   0.01     0.00   0.01   0.00    -0.01  -0.05   0.03
    12   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02   0.02   0.00
    13   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    14   6    -0.01  -0.01  -0.00    -0.02  -0.01   0.00     0.00  -0.02  -0.02
    15   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.00   0.01   0.01
    16   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00  -0.01  -0.01
    17   6    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02     0.01   0.00  -0.00
    18   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.00  -0.01   0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.05   0.03
    25   1     0.05  -0.03  -0.03    -0.01   0.01   0.00    -0.06   0.02   0.04
    26   1    -0.00   0.54  -0.10     0.00  -0.14   0.03     0.03  -0.19   0.02
    27   1    -0.19   0.02  -0.52     0.05  -0.01   0.13     0.06  -0.00   0.18
    28   1    -0.05  -0.06  -0.06     0.02   0.02   0.02     0.08   0.09   0.10
    29   1    -0.08  -0.02   0.06     0.03   0.01  -0.02     0.10   0.07  -0.10
    30   1    -0.11   0.05   0.04     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    31   1     0.04   0.06   0.09    -0.01  -0.02  -0.04    -0.02  -0.03  -0.01
    32   1     0.01   0.20  -0.03    -0.01  -0.01   0.00     0.01  -0.22   0.02
    33   1    -0.12   0.04  -0.15     0.00   0.00   0.01     0.16  -0.05   0.15
    34   1     0.10  -0.06  -0.12    -0.03   0.02   0.03     0.26  -0.18  -0.25
    35   1    -0.08  -0.17  -0.03     0.01   0.06  -0.00    -0.21  -0.31  -0.12
    36   1    -0.10   0.21  -0.05     0.01  -0.03   0.00    -0.21   0.36  -0.12
    37   1     0.15   0.08  -0.16    -0.02  -0.01   0.02     0.29   0.18  -0.27
    38   1    -0.00   0.02  -0.00    -0.01  -0.03  -0.01     0.01   0.03   0.02
    39   1    -0.01  -0.00   0.00    -0.04  -0.02   0.02    -0.01   0.00   0.01
    40   1     0.02   0.04   0.05     0.21   0.28   0.40    -0.02  -0.04  -0.04
    41   1    -0.01   0.07  -0.02    -0.19   0.49  -0.10     0.04  -0.05  -0.01
    42   1     0.01  -0.02   0.03    -0.02  -0.00  -0.03    -0.00   0.00  -0.00
    43   1    -0.02   0.01   0.03     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    44   1    -0.01   0.01  -0.01     0.06  -0.06   0.06    -0.05   0.05  -0.05
    45   1    -0.01  -0.00   0.00     0.10   0.04  -0.02    -0.07  -0.03   0.02
    46   1     0.06   0.11   0.14     0.14   0.24   0.31     0.04   0.06   0.07
    47   1    -0.01   0.17  -0.07    -0.04   0.37  -0.15     0.02   0.10  -0.05
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1495.7286              1496.6611              1498.6090
 Red. masses --      1.1339                 1.1499                 1.9165
 Frc consts  --      1.4946                 1.5176                 2.5359
 IR Inten    --      7.1123                 3.3916                 2.8680
 RamAct Fr= 1--      7.6293                17.2691                31.4876
  Dep-P Fr= 1--      0.7165                 0.5152                 0.1247
  Dep-U Fr= 1--      0.8348                 0.6801                 0.2218
 Alpha2 Fr= 1--      0.0044                 0.0793                 0.5186
 Beta2  Fr= 1--      1.0615                 1.9573                 1.1641
 AlphaG Fr= 1--      0.0051                -0.1038                -0.2447
 Gamma2 Fr= 1--     13.2416               -20.2694                 9.1424
 Delta2 Fr= 1--      6.4631                -5.8878                 3.7787
 Raman1 Fr= 1--      30.517                 69.076                125.950
 ROA1   Fr= 1--    1478.018              -2134.269                998.589
 CID1   Fr= 1--      48.433                -30.897                  7.928
 Raman2 Fr= 1--      12.738                 23.488                 13.969
 ROA2   Fr= 1--     266.095               -439.363                189.188
 CID2   Fr= 1--      20.889                -18.706                 13.543
 Raman3 Fr= 1--      25.477                 46.976                 27.938
 ROA3   Fr= 1--    1478.018              -2134.269                998.589
 CID3   Fr= 1--      58.014                -45.433                 35.743
 RC180  Fr= 1--       0.670                  0.360                 -0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.02  -0.00  -0.01
     2   6    -0.01   0.00   0.01     0.00  -0.01   0.00    -0.03  -0.03   0.06
     3   6    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.04   0.07  -0.02
     4   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     5   6     0.01  -0.02  -0.02    -0.01   0.02   0.02     0.00   0.00  -0.01
     6   6    -0.04  -0.03  -0.00     0.04   0.03   0.00     0.00  -0.01   0.00
     7   6     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.04  -0.03  -0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.02   0.01    -0.02   0.05  -0.02
     9   6     0.02  -0.03   0.00    -0.01   0.03  -0.01     0.05  -0.07   0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.02    -0.02   0.05   0.02
    11   6     0.00  -0.00   0.00     0.01   0.01   0.01     0.03   0.05  -0.02
    12   6    -0.02  -0.03  -0.00    -0.02  -0.04  -0.01    -0.08  -0.06   0.02
    13   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.06  -0.06  -0.09
    14   6    -0.00   0.01   0.01     0.02   0.02   0.00     0.04   0.10   0.04
    15   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00    -0.05  -0.04   0.01
    16   6     0.00   0.02   0.01     0.01   0.03   0.01     0.03   0.05   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.03
    18   6     0.01   0.01  -0.03     0.01   0.01  -0.03    -0.01  -0.01   0.02
    19   6    -0.04   0.01  -0.02    -0.04   0.01  -0.01    -0.01   0.01   0.01
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.01  -0.06   0.03    -0.02   0.05  -0.02     0.01  -0.10   0.06
    25   1    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.08   0.02   0.06
    26   1     0.02   0.07  -0.02    -0.01  -0.09   0.02     0.00   0.15  -0.04
    27   1    -0.03  -0.00  -0.06     0.04   0.00   0.09    -0.07   0.02  -0.14
    28   1     0.25   0.16   0.24    -0.27  -0.17  -0.26    -0.04  -0.00  -0.02
    29   1     0.25   0.15  -0.24    -0.27  -0.16   0.26    -0.03   0.00   0.02
    30   1    -0.18   0.13   0.03     0.21  -0.15  -0.04    -0.09   0.04   0.03
    31   1     0.05   0.09   0.19    -0.05  -0.10  -0.22     0.01   0.02   0.12
    32   1    -0.01  -0.07   0.02     0.02   0.03  -0.02     0.02  -0.13   0.00
    33   1     0.05  -0.02   0.05    -0.01   0.01  -0.02     0.11  -0.04   0.08
    34   1    -0.10   0.07   0.10     0.09  -0.06  -0.12     0.20  -0.12  -0.24
    35   1     0.06   0.15   0.03    -0.08  -0.13  -0.05    -0.18  -0.25  -0.09
    36   1    -0.02   0.08  -0.01    -0.04   0.08  -0.03     0.17  -0.16   0.11
    37   1     0.05   0.03  -0.05     0.05   0.03  -0.07    -0.19  -0.11   0.20
    38   1    -0.02  -0.06  -0.03    -0.01  -0.06  -0.03    -0.00  -0.10  -0.07
    39   1    -0.00  -0.01  -0.00     0.02   0.00  -0.01     0.12   0.03  -0.08
    40   1    -0.03  -0.03  -0.03    -0.02  -0.02  -0.03     0.10   0.14   0.18
    41   1     0.01  -0.04   0.01     0.03  -0.03  -0.01    -0.06   0.25  -0.05
    42   1     0.06  -0.19   0.25     0.05  -0.17   0.22    -0.03   0.17  -0.19
    43   1    -0.20   0.12   0.23    -0.17   0.11   0.21     0.17  -0.06  -0.16
    44   1     0.24  -0.22   0.21     0.22  -0.21   0.18     0.08  -0.09   0.03
    45   1     0.34   0.18  -0.05     0.31   0.16  -0.05     0.10   0.03  -0.04
    46   1     0.01  -0.02  -0.03     0.01  -0.02  -0.04    -0.10  -0.12  -0.12
    47   1    -0.01  -0.03   0.01    -0.00  -0.04   0.01    -0.05  -0.20   0.09
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1502.2631              1504.5255              1505.3799
 Red. masses --      2.0330                 1.1000                 1.1509
 Frc consts  --      2.7032                 1.4671                 1.5366
 IR Inten    --      9.3296                10.9282                 2.8736
 RamAct Fr= 1--      8.3034                 2.5032                 4.4696
  Dep-P Fr= 1--      0.4109                 0.1587                 0.4902
  Dep-U Fr= 1--      0.5824                 0.2739                 0.6579
 Alpha2 Fr= 1--      0.0591                 0.0379                 0.0231
 Beta2  Fr= 1--      0.8060                 0.1143                 0.4901
 AlphaG Fr= 1--      0.0765                -0.0422                -0.1767
 Gamma2 Fr= 1--     -3.5597                 0.8513                -3.1332
 Delta2 Fr= 1--      2.7113                -0.6646                -0.8766
 Raman1 Fr= 1--      33.214                 10.013                 17.878
 ROA1   Fr= 1--    -254.973                 60.459               -328.842
 CID1   Fr= 1--      -7.677                  6.038                -18.393
 Raman2 Fr= 1--       9.672                  1.371                  5.881
 ROA2   Fr= 1--    -107.124                 25.748                -68.184
 CID2   Fr= 1--     -11.075                 18.779                -11.594
 Raman3 Fr= 1--      19.345                  2.742                 11.762
 ROA3   Fr= 1--    -254.973                 60.459               -328.842
 CID3   Fr= 1--     -13.180                 22.048                -27.957
 RC180  Fr= 1--       0.165                 -0.452                  0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03     0.00   0.00  -0.00     0.01  -0.02   0.02
     2   6    -0.08  -0.06   0.11    -0.00  -0.00   0.01     0.01  -0.01   0.00
     3   6    -0.03   0.10  -0.05    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.00  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.03     0.00  -0.00  -0.01    -0.02   0.04   0.03
     6   6     0.04   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
     7   6     0.04  -0.04  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.03   0.05  -0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.09  -0.06  -0.04     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.01  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    11   6    -0.01   0.02  -0.01     0.00   0.00  -0.00     0.00   0.03  -0.01
    12   6     0.07   0.02  -0.05    -0.00   0.00   0.00     0.03   0.00  -0.03
    13   6    -0.06   0.05   0.08     0.00  -0.01  -0.00    -0.03   0.02   0.04
    14   6    -0.02  -0.08  -0.04    -0.01   0.01   0.01     0.00  -0.03  -0.02
    15   6     0.03   0.03  -0.00     0.01  -0.00  -0.01     0.01   0.01   0.00
    16   6    -0.02  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.00
    17   6     0.02  -0.00  -0.02    -0.00  -0.03  -0.01     0.01  -0.00  -0.01
    18   6     0.01   0.01  -0.00     0.02   0.00  -0.06     0.00   0.00  -0.01
    19   6    -0.01  -0.01  -0.01     0.05   0.00   0.01     0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.01   0.02   0.01    -0.00   0.00   0.00
    21  40     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.12   0.08     0.00  -0.01   0.01    -0.00   0.00  -0.00
    25   1    -0.11   0.03   0.08    -0.01   0.01   0.01    -0.02   0.01   0.01
    26   1    -0.00   0.11  -0.03     0.00  -0.01   0.00    -0.02   0.26  -0.04
    27   1    -0.04   0.02  -0.10     0.00   0.00   0.01    -0.10   0.01  -0.25
    28   1    -0.25  -0.13  -0.23    -0.02  -0.01  -0.02     0.14   0.11   0.16
    29   1    -0.25  -0.12   0.21    -0.02  -0.01   0.02     0.17   0.11  -0.15
    30   1    -0.23   0.12   0.07    -0.05   0.03   0.01     0.40  -0.27  -0.10
    31   1     0.06   0.09   0.24     0.01   0.02   0.06    -0.13  -0.23  -0.39
    32   1     0.05  -0.10  -0.02     0.00  -0.00  -0.00     0.00  -0.14   0.01
    33   1     0.14  -0.06   0.03     0.01  -0.00  -0.00     0.09  -0.02   0.11
    34   1    -0.05   0.02   0.12     0.03  -0.02  -0.02     0.07  -0.04  -0.08
    35   1     0.02   0.20  -0.01    -0.02  -0.02  -0.02    -0.05  -0.11  -0.01
    36   1     0.07  -0.32   0.02     0.02  -0.02   0.01     0.09  -0.28   0.04
    37   1    -0.13  -0.06   0.22    -0.02  -0.01   0.03    -0.16  -0.09   0.18
    38   1    -0.01   0.06   0.05    -0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   1    -0.10  -0.03   0.06    -0.00  -0.01  -0.00    -0.03  -0.00   0.02
    40   1    -0.04  -0.08  -0.11     0.10   0.14   0.20    -0.00  -0.02  -0.03
    41   1     0.04  -0.14   0.02    -0.09   0.24  -0.06     0.02  -0.03  -0.01
    42   1    -0.01  -0.07   0.06     0.12  -0.27   0.36     0.01  -0.07   0.07
    43   1    -0.06   0.00   0.04    -0.31   0.17   0.35    -0.07   0.03   0.07
    44   1     0.01  -0.00   0.04    -0.21   0.20  -0.22    -0.00   0.00  -0.00
    45   1     0.03   0.03   0.01    -0.34  -0.17   0.05    -0.00   0.00   0.00
    46   1     0.10   0.12   0.13    -0.08  -0.12  -0.16     0.03   0.03   0.03
    47   1     0.05   0.20  -0.09     0.02  -0.19   0.08     0.03   0.05  -0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1506.3614              1526.3036              1526.8891
 Red. masses --      1.3997                 4.3122                 4.1883
 Frc consts  --      1.8713                 5.9187                 5.7532
 IR Inten    --      1.1865                 8.0046                 2.8369
 RamAct Fr= 1--     17.5924                 3.0760                17.2924
  Dep-P Fr= 1--      0.7193                 0.7470                 0.7351
  Dep-U Fr= 1--      0.8367                 0.8552                 0.8473
 Alpha2 Fr= 1--      0.0093                 0.0002                 0.0044
 Beta2  Fr= 1--      2.4533                 0.4384                 2.4420
 AlphaG Fr= 1--      0.1598                 0.0006                 0.1197
 Gamma2 Fr= 1--     10.9582                 6.0872               -11.6462
 Delta2 Fr= 1--      4.9427                 2.2675                -4.1800
 Raman1 Fr= 1--      70.370                 12.304                 69.170
 ROA1   Fr= 1--    1210.155                656.934              -1251.792
 CID1   Fr= 1--      17.197                 53.392                -18.097
 Raman2 Fr= 1--      29.439                  5.261                 29.304
 ROA2   Fr= 1--     223.456                127.954               -246.069
 CID2   Fr= 1--       7.590                 24.320                 -8.397
 Raman3 Fr= 1--      58.879                 10.522                 58.608
 ROA3   Fr= 1--    1210.155                656.934              -1251.792
 CID3   Fr= 1--      20.553                 62.431                -21.359
 RC180  Fr= 1--       0.673                  0.710                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00  -0.01     0.04  -0.01  -0.02    -0.03   0.01   0.02
     2   6    -0.05  -0.03   0.07    -0.11   0.12   0.02     0.10  -0.12  -0.00
     3   6     0.02   0.04  -0.05     0.18  -0.09  -0.08    -0.18   0.10   0.07
     4   6    -0.02   0.01   0.01    -0.06   0.03   0.03     0.06  -0.03  -0.03
     5   6    -0.01   0.03   0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
     6   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.00  -0.02   0.01    -0.12   0.02   0.10     0.12  -0.02  -0.10
     8   6    -0.01   0.01   0.00     0.01   0.08  -0.08    -0.02  -0.08   0.08
     9   6     0.05  -0.00  -0.05     0.06  -0.14   0.04    -0.05   0.14  -0.05
    10   6     0.00  -0.05  -0.01    -0.02   0.04  -0.02     0.02  -0.06   0.01
    11   6    -0.00  -0.04   0.01    -0.02  -0.04  -0.02    -0.02  -0.05  -0.01
    12   6    -0.03   0.00   0.03     0.07   0.14   0.03     0.06   0.13   0.04
    13   6     0.04  -0.02  -0.05    -0.13  -0.11   0.02    -0.11  -0.10   0.01
    14   6    -0.02   0.02   0.03     0.19   0.08  -0.09     0.18   0.08  -0.08
    15   6     0.01  -0.01  -0.01    -0.13  -0.01   0.10    -0.13  -0.02   0.10
    16   6     0.01   0.00  -0.00     0.01  -0.08  -0.07     0.02  -0.08  -0.07
    17   6    -0.01  -0.00   0.01     0.04   0.01  -0.02     0.04   0.01  -0.02
    18   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    19   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    20   6     0.01   0.01  -0.01    -0.07  -0.02   0.02    -0.06  -0.02   0.02
    21  40    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.05   0.04     0.11  -0.26   0.10    -0.11   0.25  -0.09
    25   1    -0.02  -0.01   0.03     0.27  -0.19  -0.11    -0.28   0.20   0.12
    26   1     0.00   0.16  -0.04    -0.05  -0.11   0.04     0.04   0.14  -0.05
    27   1    -0.05   0.01  -0.16    -0.10  -0.03   0.22     0.09   0.03  -0.25
    28   1    -0.06  -0.01  -0.04    -0.01  -0.02  -0.02    -0.00   0.02   0.01
    29   1    -0.04  -0.00   0.03    -0.02  -0.02   0.02     0.01   0.02  -0.01
    30   1     0.24  -0.18  -0.05     0.09  -0.04  -0.03    -0.08   0.03   0.03
    31   1    -0.08  -0.13  -0.24    -0.01  -0.02  -0.13     0.01   0.01   0.12
    32   1     0.04  -0.14  -0.02     0.01   0.06  -0.03    -0.01  -0.06   0.03
    33   1     0.14  -0.04   0.07    -0.00   0.02  -0.07     0.01  -0.02   0.07
    34   1    -0.25   0.15   0.30    -0.02   0.02   0.07    -0.08   0.02   0.13
    35   1     0.15   0.46   0.03     0.03   0.05   0.03     0.06   0.14   0.01
    36   1    -0.09   0.33  -0.02     0.03  -0.07   0.03    -0.04   0.07  -0.01
    37   1     0.18   0.09  -0.20    -0.02  -0.02   0.08     0.04  -0.00  -0.09
    38   1    -0.00  -0.03  -0.03     0.11   0.26   0.10     0.10   0.24   0.09
    39   1     0.00  -0.01  -0.01     0.29   0.19  -0.09     0.28   0.19  -0.09
    40   1     0.02   0.04   0.06    -0.02   0.07   0.16    -0.03   0.05   0.14
    41   1    -0.04   0.07   0.01    -0.18   0.14   0.07    -0.16   0.11   0.08
    42   1    -0.01   0.06  -0.06     0.02  -0.02   0.04     0.02  -0.01   0.03
    43   1     0.06  -0.02  -0.05    -0.03   0.03   0.05    -0.02   0.02   0.03
    44   1    -0.04   0.05  -0.04     0.09  -0.10   0.03     0.08  -0.09   0.04
    45   1    -0.07  -0.04   0.01     0.10   0.03  -0.03     0.10   0.04  -0.03
    46   1    -0.05  -0.04  -0.04     0.00  -0.03  -0.02     0.00  -0.03  -0.02
    47   1    -0.04  -0.08   0.05     0.06  -0.03  -0.03     0.05  -0.03  -0.03
                    112                    113                    114
                      A                      A                      A
 Frequencies --   2995.4055              3011.2412              3012.1529
 Red. masses --      1.0732                 1.0713                 1.0691
 Frc consts  --      5.6732                 5.7232                 5.7152
 IR Inten    --     26.6144                27.2367                36.9672
 RamAct Fr= 1--    239.2989               240.0575               163.3557
  Dep-P Fr= 1--      0.2182                 0.2448                 0.1730
  Dep-U Fr= 1--      0.3582                 0.3934                 0.2950
 Alpha2 Fr= 1--      3.0952                 2.8864                 2.3810
 Beta2  Fr= 1--     14.2880                15.7387                 8.0304
 AlphaG Fr= 1--     -5.0175                 2.2197                -0.6136
 Gamma2 Fr= 1--    -14.4289                 0.2968                -6.2268
 Delta2 Fr= 1--     10.5011                -9.7495                 0.3631
 Raman1 Fr= 1--     957.196                960.230                653.423
 ROA1   Fr= 1--   -1049.136               -283.488               -586.153
 CID1   Fr= 1--      -1.096                 -0.295                 -0.897
 Raman2 Fr= 1--     171.455                188.864                 96.365
 ROA2   Fr= 1--    -430.302                 85.119               -152.347
 CID2   Fr= 1--      -2.510                  0.451                 -1.581
 Raman3 Fr= 1--     342.911                377.729                192.730
 ROA3   Fr= 1--   -1049.136               -283.488               -586.153
 CID3   Fr= 1--      -3.059                 -0.751                 -3.041
 RC180  Fr= 1--      -0.284                 -0.213                 -0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.04   0.01  -0.06    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.03  -0.07   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.04   0.04
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    21  40    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.02     0.00   0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    29   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.03    -0.01  -0.00  -0.01
    30   1     0.00   0.00   0.00    -0.04  -0.03  -0.07    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.08   0.04   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00     0.61   0.09   0.74     0.02   0.00   0.02
    33   1     0.00   0.00   0.00    -0.06  -0.20  -0.03    -0.00  -0.01  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    39   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   1    -0.44   0.78  -0.38    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    41   1     0.09   0.03   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.01
    42   1     0.05  -0.04  -0.04    -0.00   0.00   0.00     0.04  -0.02  -0.03
    43   1     0.04  -0.06   0.06    -0.00   0.00  -0.00     0.05  -0.09   0.08
    44   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.20  -0.18   0.10
    45   1     0.01  -0.01   0.01     0.01  -0.02   0.02    -0.35   0.62  -0.60
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.09   0.06
    47   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.03   0.08
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3015.3944              3021.3914              3026.9659
 Red. masses --      1.0697                 1.0599                 1.0674
 Frc consts  --      5.7304                 5.7005                 5.7622
 IR Inten    --     25.7680                17.1308                18.0274
 RamAct Fr= 1--    205.6985                32.6296                75.5486
  Dep-P Fr= 1--      0.1163                 0.0936                 0.6848
  Dep-U Fr= 1--      0.2084                 0.1712                 0.8129
 Alpha2 Fr= 1--      3.4597                 0.5803                 0.0866
 Beta2  Fr= 1--      7.1445                 0.9309                10.2360
 AlphaG Fr= 1--      0.1616                -0.7628                 0.1099
 Gamma2 Fr= 1--      3.3848               -13.7007                40.9790
 Delta2 Fr= 1--     -4.8956                 0.6257                -1.9781
 Raman1 Fr= 1--     822.794                130.518                302.195
 ROA1   Fr= 1--     168.285              -1295.245               3870.684
 CID1   Fr= 1--       0.205                 -9.924                 12.809
 Raman2 Fr= 1--      85.734                 11.171                122.832
 ROA2   Fr= 1--     120.401               -333.823                999.321
 CID2   Fr= 1--       1.404                -29.883                  8.136
 Raman3 Fr= 1--     171.468                 22.342                245.664
 ROA3   Fr= 1--     168.285              -1295.245               3870.684
 CID3   Fr= 1--       0.981                -57.975                 15.756
 RC180  Fr= 1--      -0.583                 -0.658                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.02   0.03  -0.05    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.04    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.16  -0.09  -0.37     0.28   0.17   0.67     0.04   0.03   0.10
    27   1    -0.00  -0.00   0.01    -0.03  -0.52  -0.05    -0.00  -0.06  -0.01
    28   1     0.13   0.07  -0.23     0.13   0.07  -0.21     0.02   0.01  -0.03
    29   1     0.39   0.32   0.70     0.12   0.10   0.23     0.01   0.01   0.02
    30   1    -0.05  -0.04  -0.09    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
    31   1    -0.06   0.02   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    32   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.07  -0.08  -0.01     0.50   0.56   0.07
    35   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.18   0.03   0.14
    36   1    -0.01  -0.00   0.01     0.05   0.01  -0.04    -0.17  -0.02   0.13
    37   1     0.01  -0.01   0.00    -0.05   0.05  -0.01     0.36  -0.41   0.06
    38   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    42   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    43   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3035.3415              3039.4306              3040.7974
 Red. masses --      1.0701                 1.0616                 1.0602
 Frc consts  --      5.8089                 5.7784                 5.7756
 IR Inten    --     64.6112                14.4282                27.5564
 RamAct Fr= 1--    417.3578               170.7292               104.3423
  Dep-P Fr= 1--      0.1422                 0.0340                 0.7490
  Dep-U Fr= 1--      0.2491                 0.0657                 0.8565
 Alpha2 Fr= 1--      6.5798                 3.5032                 0.0017
 Beta2  Fr= 1--     17.3241                 1.8694                14.8951
 AlphaG Fr= 1--      4.7710                 2.9312                -0.0828
 Gamma2 Fr= 1--      0.9627               -12.5531                22.3433
 Delta2 Fr= 1--      9.3314               -13.0039                 0.6128
 Raman1 Fr= 1--    1669.431                682.917                417.369
 ROA1   Fr= 1--     391.027              -1621.219               2164.570
 CID1   Fr= 1--       0.234                 -2.374                  5.186
 Raman2 Fr= 1--     207.890                 22.433                178.741
 ROA2   Fr= 1--     -51.545               -197.243                531.338
 CID2   Fr= 1--      -0.248                 -8.793                  2.973
 Raman3 Fr= 1--     415.779                 44.865                357.482
 ROA3   Fr= 1--     391.027              -1621.219               2164.570
 CID3   Fr= 1--       0.940                -36.135                  6.055
 RC180  Fr= 1--      -0.502                 -0.869                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.02  -0.04  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.03  -0.05   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    18   6    -0.00   0.00  -0.00    -0.01  -0.00   0.03    -0.02  -0.01   0.05
    19   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01     0.00   0.04   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.02   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   1     0.38   0.42   0.06     0.01   0.01   0.00     0.02   0.03   0.00
    35   1    -0.11   0.02   0.08     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    36   1     0.19   0.03  -0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.50   0.57  -0.09     0.00  -0.00   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    41   1    -0.02  -0.01  -0.03     0.06   0.03   0.09     0.09   0.06   0.15
    42   1    -0.01   0.00   0.00     0.26  -0.18  -0.18     0.43  -0.30  -0.29
    43   1     0.01  -0.01   0.01    -0.14   0.23  -0.20    -0.23   0.37  -0.33
    44   1     0.00   0.00  -0.00    -0.19  -0.15   0.08    -0.06  -0.05   0.03
    45   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.00   0.01  -0.01
    46   1    -0.00   0.01  -0.01    -0.14   0.46  -0.34     0.09  -0.31   0.23
    47   1     0.00   0.00   0.01     0.21   0.18   0.49    -0.14  -0.12  -0.32
                    121                    122                    123
                      A                      A                      A
 Frequencies --   3045.2407              3052.5407              3063.0044
 Red. masses --      1.0627                 1.0968                 1.0877
 Frc consts  --      5.8064                 6.0215                 6.0127
 IR Inten    --     22.2354                28.4584                30.9031
 RamAct Fr= 1--    141.7612                87.9654                31.2422
  Dep-P Fr= 1--      0.2957                 0.2177                 0.2329
  Dep-U Fr= 1--      0.4564                 0.3576                 0.3778
 Alpha2 Fr= 1--      1.4727                 1.1393                 0.3882
 Beta2  Fr= 1--     10.7840                 5.2424                 1.9674
 AlphaG Fr= 1--     -0.1201                -2.2703                -0.1528
 Gamma2 Fr= 1--    -38.2756               -13.3303                 0.1962
 Delta2 Fr= 1--     -3.7937                -2.4956                 2.8764
 Raman1 Fr= 1--     567.045                351.861                124.969
 ROA1   Fr= 1--   -3795.859              -1359.570                110.881
 CID1   Fr= 1--      -6.694                 -3.864                  0.887
 Raman2 Fr= 1--     129.409                 62.909                 23.608
 ROA2   Fr= 1--    -888.266               -299.962                -18.301
 CID2   Fr= 1--      -6.864                 -4.768                 -0.775
 Raman3 Fr= 1--     258.817                125.818                 47.217
 ROA3   Fr= 1--   -3795.859              -1359.570                110.881
 CID3   Fr= 1--     -14.666                -10.806                  2.348
 RC180  Fr= 1--      -0.087                 -0.285                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02  -0.08  -0.04     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.03   0.04   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
     6   6     0.01   0.00  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.02  -0.06
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    20   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21  40     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01   0.01   0.03     0.17   0.08   0.40     0.00   0.00   0.00
    27   1    -0.00  -0.04  -0.00     0.03   0.84   0.06     0.00  -0.01  -0.00
    28   1    -0.15  -0.07   0.23     0.12   0.06  -0.19     0.01   0.00  -0.01
    29   1     0.04   0.03   0.06     0.06   0.05   0.12    -0.00  -0.00  -0.00
    30   1    -0.32  -0.22  -0.49    -0.05  -0.03  -0.08    -0.00  -0.00  -0.00
    31   1     0.66  -0.26  -0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
    32   1     0.02  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1     0.02   0.10   0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    34   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.07   0.01
    35   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.16  -0.04  -0.13
    36   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.07  -0.01   0.06
    37   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.03  -0.01
    38   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.10   0.03
    41   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.47   0.28   0.71
    42   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.17   0.11   0.12
    43   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.15   0.12  -0.07
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.04  -0.04
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.05   0.03
    47   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.04   0.10
                    124                    125                    126
                      A                      A                      A
 Frequencies --   3067.9194              3068.9914              3074.6885
 Red. masses --      1.0934                 1.0960                 1.1012
 Frc consts  --      6.0632                 6.0819                 6.1334
 IR Inten    --     36.3904                57.1642                31.2081
 RamAct Fr= 1--    259.5808               260.9272               157.4831
  Dep-P Fr= 1--      0.1865                 0.2781                 0.4439
  Dep-U Fr= 1--      0.3144                 0.4352                 0.6149
 Alpha2 Fr= 1--      3.6526                 2.8541                 0.9891
 Beta2  Fr= 1--     13.6022                18.9273                16.1389
 AlphaG Fr= 1--      0.7629                 0.0421                 0.6025
 Gamma2 Fr= 1--     31.7611                36.8079               -28.4728
 Delta2 Fr= 1--     16.4939                12.9259               -22.8822
 Raman1 Fr= 1--    1038.323               1043.709                629.932
 ROA1   Fr= 1--    3576.868               3947.190              -3465.623
 CID1   Fr= 1--       3.445                  3.782                 -5.502
 Raman2 Fr= 1--     163.226                227.128                193.666
 ROA2   Fr= 1--     630.315                779.982               -500.290
 CID2   Fr= 1--       3.862                  3.434                 -2.583
 Raman3 Fr= 1--     326.452                454.256                387.333
 ROA3   Fr= 1--    3576.868               3947.190              -3465.623
 CID3   Fr= 1--      10.957                  8.689                 -8.947
 RC180  Fr= 1--      -0.371                 -0.130                  0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.02   0.01  -0.08     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6    -0.01   0.00   0.01     0.00  -0.00   0.00    -0.03   0.03   0.00
    19   6    -0.04  -0.04   0.02    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    20   6    -0.02   0.01  -0.05    -0.00   0.00  -0.00     0.02  -0.02   0.06
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.01     0.08   0.04   0.18     0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00     0.00   0.07   0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.01  -0.01    -0.45  -0.23   0.67    -0.00  -0.00   0.01
    29   1    -0.00  -0.00  -0.01     0.16   0.13   0.26     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00   0.00   0.00
    31   1     0.01  -0.00  -0.00    -0.32   0.13   0.01     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00   0.00    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00
    34   1    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   1    -0.04   0.01   0.04    -0.01   0.00   0.01     0.03  -0.01  -0.03
    36   1     0.03   0.01  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.02
    37   1     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    40   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    41   1    -0.10  -0.06  -0.15     0.01   0.00   0.01     0.02   0.01   0.03
    42   1     0.14  -0.10  -0.10    -0.00   0.00   0.00     0.25  -0.17  -0.19
    43   1    -0.04   0.06  -0.05    -0.00   0.01  -0.00     0.09  -0.15   0.14
    44   1     0.52   0.40  -0.22     0.01   0.01  -0.01     0.39   0.31  -0.17
    45   1    -0.05   0.06  -0.06    -0.00   0.00  -0.00    -0.09   0.14  -0.13
    46   1     0.07  -0.27   0.18     0.00  -0.01   0.01    -0.12   0.44  -0.30
    47   1     0.20   0.19   0.48     0.01   0.01   0.02    -0.16  -0.15  -0.37
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3076.6353              3076.7421              3082.6544
 Red. masses --      1.0915                 1.0901                 1.1040
 Frc consts  --      6.0871                 6.0797                 6.1814
 IR Inten    --      3.4640                16.0859                28.4309
 RamAct Fr= 1--     91.5341                84.1759                47.6321
  Dep-P Fr= 1--      0.1900                 0.3762                 0.7137
  Dep-U Fr= 1--      0.3193                 0.5467                 0.8329
 Alpha2 Fr= 1--      1.2762                 0.6774                 0.0299
 Beta2  Fr= 1--      4.8719                 7.6704                 6.6122
 AlphaG Fr= 1--     -0.8142                 1.5622                -0.0380
 Gamma2 Fr= 1--    -14.3214                -0.5160               -24.1414
 Delta2 Fr= 1--      0.8474               -15.8059                -9.1549
 Raman1 Fr= 1--     366.136                336.703                190.528
 ROA1   Fr= 1--   -1347.741               -555.324              -2610.533
 CID1   Fr= 1--      -3.681                 -1.649                -13.702
 Raman2 Fr= 1--      58.463                 92.044                 79.346
 ROA2   Fr= 1--    -350.494                114.063               -506.154
 CID2   Fr= 1--      -5.995                  1.239                 -6.379
 Raman3 Fr= 1--     116.925                184.089                158.692
 ROA3   Fr= 1--   -1347.741               -555.324              -2610.533
 CID3   Fr= 1--     -11.527                 -3.017                -16.450
 RC180  Fr= 1--      -0.361                  0.093                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.02   0.00    -0.02  -0.07  -0.01     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.06   0.00   0.04    -0.02   0.00   0.01     0.01  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.06   0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    20   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.02
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02     0.00   0.00   0.00
    27   1     0.00   0.04   0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.00  -0.01     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   1     0.00   0.00   0.01    -0.03  -0.02  -0.05    -0.00  -0.00  -0.00
    30   1     0.02   0.02   0.04    -0.08  -0.06  -0.13    -0.00  -0.00  -0.00
    31   1     0.08  -0.03  -0.00    -0.24   0.10   0.01    -0.00   0.00   0.00
    32   1    -0.02   0.00  -0.03     0.09  -0.00   0.11    -0.00  -0.00  -0.00
    33   1    -0.06  -0.25  -0.02     0.21   0.86   0.07    -0.00  -0.00  -0.00
    34   1    -0.06  -0.08  -0.02    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    35   1    -0.40   0.09   0.33    -0.12   0.03   0.10     0.01  -0.00  -0.01
    36   1     0.55   0.11  -0.46     0.16   0.03  -0.13    -0.07  -0.01   0.05
    37   1     0.13  -0.17   0.03     0.04  -0.05   0.01    -0.02   0.02  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.05   0.11  -0.05
    41   1     0.10   0.06   0.16     0.03   0.02   0.05    -0.09  -0.05  -0.13
    42   1    -0.05   0.03   0.04    -0.01   0.01   0.01    -0.36   0.25   0.27
    43   1    -0.02   0.03  -0.03    -0.01   0.01  -0.01    -0.29   0.47  -0.44
    44   1     0.03   0.02  -0.01     0.02   0.01  -0.01     0.16   0.13  -0.07
    45   1    -0.01   0.02  -0.02    -0.01   0.01  -0.01    -0.10   0.15  -0.15
    46   1    -0.01   0.04  -0.03    -0.01   0.02  -0.01    -0.05   0.17  -0.12
    47   1    -0.02  -0.02  -0.04    -0.01  -0.01  -0.02    -0.06  -0.05  -0.14
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3087.1262              3097.2284              3227.9493
 Red. masses --      1.1033                 1.0941                 1.0913
 Frc consts  --      6.1951                 6.1836                 6.6997
 IR Inten    --     28.4022                26.9588                 0.6192
 RamAct Fr= 1--     54.8548                36.6353                43.0084
  Dep-P Fr= 1--      0.6668                 0.6579                 0.5109
  Dep-U Fr= 1--      0.8001                 0.7937                 0.6763
 Alpha2 Fr= 1--      0.0811                 0.0603                 0.2017
 Beta2  Fr= 1--      7.3148                 4.8460                 4.8477
 AlphaG Fr= 1--     -0.0736                 0.0158                 0.0357
 Gamma2 Fr= 1--     26.3647                40.7943                 7.8122
 Delta2 Fr= 1--     10.4345                15.0421                 2.2807
 Raman1 Fr= 1--     219.419                146.541                172.034
 ROA1   Fr= 1--    2864.913               4397.602                822.954
 CID1   Fr= 1--      13.057                 30.009                  4.784
 Raman2 Fr= 1--      87.777                 58.152                 58.173
 ROA2   Fr= 1--     549.277                858.727                169.247
 CID2   Fr= 1--       6.258                 14.767                  2.909
 Raman3 Fr= 1--     175.555                116.304                116.346
 ROA3   Fr= 1--    2864.913               4397.602                822.954
 CID3   Fr= 1--      16.319                 37.811                  7.073
 RC180  Fr= 1--       0.600                  0.587                  0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.07  -0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.06  -0.00   0.04    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.05   0.00   0.03    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.05
    17   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    18   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.03  -0.01  -0.03
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    26   1     0.03   0.01   0.06    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    27   1     0.00   0.04   0.00     0.00   0.02   0.00     0.00  -0.00   0.00
    28   1    -0.06  -0.03   0.09     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.09   0.08   0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1     0.36   0.27   0.59    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.48  -0.20  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.11   0.01   0.14    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1     0.07   0.28   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1     0.00   0.00   0.00     0.13   0.16   0.03     0.00   0.00   0.00
    35   1     0.00  -0.00  -0.00     0.57  -0.13  -0.48     0.00  -0.00  -0.00
    36   1     0.00   0.00  -0.00     0.42   0.09  -0.35     0.01   0.00  -0.00
    37   1     0.00  -0.00   0.00     0.13  -0.16   0.03    -0.00   0.00  -0.00
    38   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.74   0.12  -0.56
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.26   0.21
    40   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    41   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.11     0.00   0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   1    -0.00   0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3228.9573              3248.9682              3249.5368
 Red. masses --      1.0914                 1.0976                 1.0975
 Frc consts  --      6.7043                 6.8262                 6.8284
 IR Inten    --      0.2446                 0.0918                 0.1275
 RamAct Fr= 1--     46.1006                92.3107                92.8119
  Dep-P Fr= 1--      0.5282                 0.1858                 0.1809
  Dep-U Fr= 1--      0.6912                 0.3133                 0.3064
 Alpha2 Fr= 1--      0.1983                 1.3015                 1.3251
 Beta2  Fr= 1--      5.3111                 4.8204                 4.7402
 AlphaG Fr= 1--      0.0214                -0.2291                -0.0692
 Gamma2 Fr= 1--     -0.4778                 0.5367                 3.3804
 Delta2 Fr= 1--     -2.9844                 0.2324                 1.3034
 Raman1 Fr= 1--     184.403                369.243                371.247
 ROA1   Fr= 1--    -141.369                 58.960                366.232
 CID1   Fr= 1--      -0.767                  0.160                  0.986
 Raman2 Fr= 1--      63.733                 57.845                 56.882
 ROA2   Fr= 1--      12.408                 11.022                 70.703
 CID2   Fr= 1--       0.195                  0.191                  1.243
 Raman3 Fr= 1--     127.467                115.689                113.764
 ROA3   Fr= 1--    -141.369                 58.960                366.232
 CID3   Fr= 1--      -1.109                  0.510                  3.219
 RC180  Fr= 1--       0.382                 -0.373                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.02  -0.02    -0.00  -0.07   0.05    -0.00  -0.00   0.00
     8   6    -0.06   0.01   0.05    -0.03   0.01   0.02    -0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.07  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.71  -0.14  -0.58     0.27  -0.05  -0.22     0.00  -0.00  -0.00
    25   1    -0.02  -0.27   0.22     0.05   0.72  -0.58     0.00   0.01  -0.01
    26   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   1    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.26  -0.05   0.19
    39   1     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.06   0.74   0.58
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    43   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number 40 and mass  89.90430
 Atom    22 has atomic number 17 and mass  34.96885
 Atom    23 has atomic number 17 and mass  34.96885
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Molecular mass:   424.02981 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4791.519389383.12328**********
           X            0.99999  -0.00020  -0.00471
           Y            0.00021   0.99999   0.00321
           Z            0.00471  -0.00321   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01808     0.00923     0.00831
 Rotational constants (GHZ):           0.37665     0.19234     0.17314
 Zero-point vibrational energy    1036628.3 (Joules/Mol)
                                  247.76010 (Kcal/Mol)
 Warning -- explicit consideration of  35 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.44   109.83   128.20   140.05   172.23
          (Kelvin)            174.51   179.38   198.73   204.89   235.76
                              262.14   271.31   283.96   340.04   376.41
                              402.55   409.94   447.31   458.40   469.30
                              488.98   494.85   521.33   527.58   594.87
                              610.71   618.09   646.06   656.31   680.62
                              718.88   747.76   829.44   866.36   893.02
                              915.76   945.19   963.53   992.76  1001.92
                             1039.62  1068.10  1173.22  1177.62  1198.24
                             1202.02  1243.57  1244.52  1259.85  1263.42
                             1309.31  1324.41  1328.92  1335.98  1338.15
                             1371.54  1395.07  1396.07  1441.94  1479.76
                             1522.35  1523.90  1533.10  1553.46  1562.35
                             1588.33  1590.16  1641.92  1677.61  1679.51
                             1686.42  1689.41  1706.31  1728.79  1749.48
                             1762.29  1787.54  1838.12  1839.09  1856.83
                             1865.90  1885.75  1892.67  1941.57  1952.10
                             1959.29  1970.38  1972.37  1978.24  1978.84
                             1981.79  1995.84  2002.88  2028.32  2031.50
                             2111.97  2115.13  2123.22  2127.51  2133.07
                             2136.01  2144.46  2152.02  2153.36  2156.16
                             2161.42  2164.68  2165.91  2167.32  2196.01
                             2196.85  4309.72  4332.50  4333.82  4338.48
                             4347.11  4355.13  4367.18  4373.06  4375.03
                             4381.42  4391.93  4406.98  4414.05  4415.59
                             4423.79  4426.59  4426.75  4435.25  4441.69
                             4456.22  4644.30  4645.75  4674.54  4675.36
 
 Zero-point correction=                           0.394831 (Hartree/Particle)
 Thermal correction to Energy=                    0.416033
 Thermal correction to Enthalpy=                  0.416977
 Thermal correction to Gibbs Free Energy=         0.346177
 Sum of electronic and zero-point Energies=          -1744.372617
 Sum of electronic and thermal Energies=             -1744.351415
 Sum of electronic and thermal Enthalpies=           -1744.350471
 Sum of electronic and thermal Free Energies=        -1744.421272
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  261.065             85.483            149.012
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.024
 Rotational               0.889              2.981             34.504
 Vibrational            259.287             79.521             70.484
 Vibration     1          0.593              1.985              6.336
 Vibration     2          0.599              1.965              3.983
 Vibration     3          0.602              1.957              3.680
 Vibration     4          0.603              1.951              3.507
 Vibration     5          0.609              1.933              3.105
 Vibration     6          0.609              1.931              3.080
 Vibration     7          0.610              1.928              3.027
 Vibration     8          0.614              1.915              2.830
 Vibration     9          0.616              1.911              2.771
 Vibration    10          0.623              1.887              2.505
 Vibration    11          0.630              1.864              2.306
 Vibration    12          0.633              1.856              2.242
 Vibration    13          0.637              1.844              2.158
 Vibration    14          0.655              1.785              1.830
 Vibration    15          0.669              1.743              1.651
 Vibration    16          0.680              1.711              1.535
 Vibration    17          0.683              1.702              1.504
 Vibration    18          0.700              1.653              1.358
 Vibration    19          0.705              1.638              1.317
 Vibration    20          0.710              1.623              1.279
 Vibration    21          0.720              1.596              1.213
 Vibration    22          0.723              1.588              1.194
 Vibration    23          0.736              1.550              1.112
 Vibration    24          0.740              1.541              1.094
 Vibration    25          0.777              1.441              0.914
 Vibration    26          0.786              1.417              0.877
 Vibration    27          0.791              1.406              0.860
 Vibration    28          0.808              1.363              0.799
 Vibration    29          0.814              1.347              0.777
 Vibration    30          0.830              1.310              0.729
 Vibration    31          0.855              1.251              0.659
 Vibration    32          0.875              1.206              0.611
 Vibration    33          0.933              1.082              0.492
 Vibration    34          0.960              1.027              0.446
 Vibration    35          0.981              0.988              0.415
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.588683-159       -159.230119       -366.640898
 Total V=0       0.239500D+23         22.379305         51.530254
 Vib (Bot)       0.221346-174       -174.654929       -402.157835
 Vib (Bot)    1  0.891058D+01          0.949906          2.187239
 Vib (Bot)    2  0.269930D+01          0.431251          0.992992
 Vib (Bot)    3  0.230782D+01          0.363203          0.836305
 Vib (Bot)    4  0.210947D+01          0.324174          0.746439
 Vib (Bot)    5  0.170733D+01          0.232317          0.534929
 Vib (Bot)    6  0.168434D+01          0.226431          0.521376
 Vib (Bot)    7  0.163728D+01          0.214124          0.493039
 Vib (Bot)    8  0.147289D+01          0.168169          0.387223
 Vib (Bot)    9  0.142695D+01          0.154408          0.355537
 Vib (Bot)   10  0.123227D+01          0.090706          0.208859
 Vib (Bot)   11  0.110153D+01          0.041996          0.096701
 Vib (Bot)   12  0.106191D+01          0.026087          0.060069
 Vib (Bot)   13  0.101131D+01          0.004884          0.011245
 Vib (Bot)   14  0.831028D+00         -0.080384         -0.185092
 Vib (Bot)   15  0.741834D+00         -0.129693         -0.298630
 Vib (Bot)   16  0.687253D+00         -0.162883         -0.375053
 Vib (Bot)   17  0.673025D+00         -0.171969         -0.395972
 Vib (Bot)   18  0.607894D+00         -0.216172         -0.497754
 Vib (Bot)   19  0.590514D+00         -0.228770         -0.526762
 Vib (Bot)   20  0.574164D+00         -0.240964         -0.554840
 Vib (Bot)   21  0.546407D+00         -0.262483         -0.604391
 Vib (Bot)   22  0.538535D+00         -0.268786         -0.618903
 Vib (Bot)   23  0.505056D+00         -0.296661         -0.683087
 Vib (Bot)   24  0.497617D+00         -0.303105         -0.697926
 Vib (Bot)   25  0.426805D+00         -0.369770         -0.851427
 Vib (Bot)   26  0.412260D+00         -0.384829         -0.886101
 Vib (Bot)   27  0.405721D+00         -0.391773         -0.902090
 Vib (Bot)   28  0.382200D+00         -0.417709         -0.961812
 Vib (Bot)   29  0.374049D+00         -0.427071         -0.983367
 Vib (Bot)   30  0.355645D+00         -0.448983         -1.033822
 Vib (Bot)   31  0.329041D+00         -0.482750         -1.111572
 Vib (Bot)   32  0.310657D+00         -0.507719         -1.169066
 Vib (Bot)   33  0.265255D+00         -0.576337         -1.327065
 Vib (Bot)   34  0.247429D+00         -0.606549         -1.396631
 Vib (Bot)   35  0.235446D+00         -0.628109         -1.446274
 Vib (V=0)       0.900524D+07          6.954495         16.013317
 Vib (V=0)    1  0.942460D+01          0.974263          2.243323
 Vib (V=0)    2  0.324522D+01          0.511244          1.177182
 Vib (V=0)    3  0.286137D+01          0.456574          1.051300
 Vib (V=0)    4  0.266792D+01          0.426173          0.981299
 Vib (V=0)    5  0.227903D+01          0.357751          0.823752
 Vib (V=0)    6  0.225699D+01          0.353530          0.814032
 Vib (V=0)    7  0.221193D+01          0.344771          0.793865
 Vib (V=0)    8  0.205544D+01          0.312905          0.720490
 Vib (V=0)    9  0.201201D+01          0.303630          0.699134
 Vib (V=0)   10  0.182985D+01          0.262415          0.604232
 Vib (V=0)   11  0.170970D+01          0.232919          0.536317
 Vib (V=0)   12  0.167373D+01          0.223686          0.515057
 Vib (V=0)   13  0.162816D+01          0.211697          0.487450
 Vib (V=0)   14  0.146985D+01          0.167273          0.385160
 Vib (V=0)   15  0.139460D+01          0.144451          0.332611
 Vib (V=0)   16  0.134989D+01          0.130299          0.300025
 Vib (V=0)   17  0.133843D+01          0.126595          0.291496
 Vib (V=0)   18  0.128711D+01          0.109614          0.252396
 Vib (V=0)   19  0.127376D+01          0.105088          0.241974
 Vib (V=0)   20  0.126136D+01          0.100838          0.232188
 Vib (V=0)   21  0.124065D+01          0.093649          0.215635
 Vib (V=0)   22  0.123486D+01          0.091618          0.210958
 Vib (V=0)   23  0.121069D+01          0.083033          0.191191
 Vib (V=0)   24  0.120542D+01          0.081140          0.186831
 Vib (V=0)   25  0.115739D+01          0.063480          0.146168
 Vib (V=0)   26  0.114804D+01          0.059958          0.138058
 Vib (V=0)   27  0.114390D+01          0.058389          0.134445
 Vib (V=0)   28  0.112935D+01          0.052827          0.121639
 Vib (V=0)   29  0.112443D+01          0.050932          0.117276
 Vib (V=0)   30  0.111358D+01          0.046722          0.107582
 Vib (V=0)   31  0.109855D+01          0.040822          0.093996
 Vib (V=0)   32  0.108865D+01          0.036888          0.084937
 Vib (V=0)   33  0.106600D+01          0.027759          0.063917
 Vib (V=0)   34  0.105787D+01          0.024433          0.056259
 Vib (V=0)   35  0.105266D+01          0.022289          0.051322
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.343201D+09          8.535548         19.653827
 Rotational      0.774928D+07          6.889261         15.863111
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054649    0.000000164    0.000035922
      2        6           0.000032068    0.000015398    0.000020106
      3        6           0.000021223   -0.000004821   -0.000002532
      4        6           0.000043029   -0.000001376   -0.000037326
      5        6          -0.000014612    0.000001279    0.000013789
      6        6           0.000016017    0.000006126   -0.000004607
      7        6           0.000011618    0.000010236    0.000006225
      8        6          -0.000011845    0.000013321   -0.000007057
      9        6           0.000002240   -0.000003493   -0.000009018
     10        6          -0.000011397    0.000017289    0.000010830
     11        6           0.000011984    0.000004770    0.000002577
     12        6          -0.000015859   -0.000003678   -0.000002867
     13        6          -0.000012357   -0.000028466    0.000015488
     14        6          -0.000034588   -0.000009016    0.000016235
     15        6          -0.000023348    0.000005617   -0.000002954
     16        6           0.000019741    0.000008289    0.000027701
     17        6           0.000052473    0.000023101   -0.000054079
     18        6          -0.000019397    0.000012529    0.000025721
     19        6           0.000016105   -0.000005558   -0.000005499
     20        6           0.000003731    0.000011181    0.000006058
     21       40          -0.000019904   -0.000039058   -0.000072933
     22       17          -0.000010590    0.000021694    0.000048482
     23       17          -0.000008588    0.000048716   -0.000020528
     24        1           0.000008234   -0.000008579    0.000006679
     25        1          -0.000002216   -0.000005294   -0.000002046
     26        1           0.000035208    0.000004619    0.000005951
     27        1          -0.000017455    0.000001752    0.000007988
     28        1           0.000001462   -0.000000113    0.000001270
     29        1           0.000003319   -0.000001040    0.000001770
     30        1           0.000022009   -0.000018924   -0.000010517
     31        1          -0.000000814   -0.000001302    0.000002598
     32        1          -0.000002833   -0.000003511    0.000001679
     33        1          -0.000009857    0.000004041   -0.000021503
     34        1           0.000001132    0.000003096    0.000000702
     35        1           0.000000440    0.000004274    0.000013366
     36        1           0.000013080   -0.000002886    0.000004092
     37        1          -0.000002084   -0.000003030   -0.000000152
     38        1          -0.000031387   -0.000021628   -0.000000003
     39        1          -0.000001485    0.000003017    0.000004315
     40        1          -0.000003285   -0.000003456    0.000003870
     41        1           0.000018767   -0.000003339   -0.000060336
     42        1          -0.000001490    0.000000338   -0.000002089
     43        1          -0.000037134   -0.000037553    0.000020659
     44        1          -0.000001970    0.000000011   -0.000005068
     45        1          -0.000006383    0.000002609   -0.000001168
     46        1           0.000019570   -0.000018039    0.000022222
     47        1           0.000002079    0.000000693   -0.000004010
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072933 RMS     0.000019124
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.340007D+03 -0.481724D+00 -0.412455D+01
      2  -0.481724D+00  0.271235D+03  0.419476D+00
      3  -0.412455D+01  0.419476D+00  0.251632D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.365017D+01 -0.101799D+01 -0.534923D+02
      2  -0.370046D+00 -0.158863D+02 -0.181500D+01
      3   0.848028D+02 -0.431480D+01  0.180067D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.486723D+01 -0.947007D+02 -0.836308D+01
      2   0.867150D+01  0.187531D+03 -0.212265D+00
      3  -0.380427D+01 -0.928302D+02  0.857535D+01
      4   0.196261D+02  0.155670D+02 -0.286120D+02
      5  -0.138804D+02 -0.239463D+02 -0.885909D+01
      6  -0.334735D+01 -0.111998D+02 -0.708733D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.505532D+01  0.577457D+00  0.108293D+01  0.397323D+00 -0.203379D+01
      2   0.577457D+00 -0.690770D+00  0.118093D+00 -0.203379D+01 -0.651431D+01
      3   0.108293D+01  0.118093D+00  0.135960D+01  0.680151D+00  0.855881D+00
                 6             7             8             9            10 
      1   0.680151D+00  0.474164D+01  0.144584D+01 -0.713161D+00  0.126017D+02
      2   0.855881D+00  0.144584D+01  0.116473D+01 -0.810766D+00  0.402627D+01
      3   0.545860D+00 -0.713161D+00 -0.810766D+00  0.424439D+01 -0.947625D+00
                11            12            13            14            15 
      1   0.402627D+01 -0.947625D+00  0.113630D+02  0.419310D+01 -0.368738D+01
      2   0.546115D+01 -0.195304D+01  0.419310D+01  0.685721D+00 -0.106196D+00
      3  -0.195304D+01  0.137210D+01 -0.368738D+01 -0.106196D+00  0.254452D+01
                16            17            18            19            20 
      1  -0.708696D+01  0.232319D-01  0.335600D+01  0.148191D+02 -0.330947D+01
      2   0.232319D-01 -0.326348D+01  0.153688D+01 -0.330947D+01  0.286505D+01
      3   0.335600D+01  0.153688D+01 -0.210021D+01  0.543309D+01 -0.140127D+01
                21            22            23            24            25 
      1   0.543309D+01 -0.114791D+02  0.451584D+00  0.374054D+01  0.412580D+01
      2  -0.140127D+01  0.451584D+00 -0.101160D+01 -0.571421D-01  0.290159D+01
      3   0.308906D+01  0.374054D+01 -0.571421D-01 -0.108874D+01 -0.243607D+01
                26            27            28            29            30 
      1   0.290159D+01 -0.243607D+01 -0.807841D+01  0.114811D+01 -0.382373D+01
      2  -0.260252D+01 -0.195056D+00  0.114811D+01  0.411997D+00  0.117144D+01
      3  -0.195056D+00  0.445827D+00 -0.382373D+01  0.117144D+01 -0.334160D+01
                31            32            33            34            35 
      1   0.291750D+01 -0.182981D+01  0.638466D+00 -0.598001D+01  0.135591D+01
      2  -0.182981D+01  0.547239D+01 -0.547728D+00  0.135591D+01  0.755029D+00
      3   0.638466D+00 -0.547728D+00 -0.312014D+00 -0.540026D+01 -0.348810D+00
                36            37            38            39            40 
      1  -0.540026D+01 -0.710632D+01  0.480253D+01  0.106978D+01  0.576034D+01
      2  -0.348810D+00  0.480253D+01 -0.930665D+00 -0.202733D+00 -0.103292D+01
      3  -0.200182D+01  0.106978D+01 -0.202733D+00  0.267650D+01 -0.724757D-01
                41            42            43            44            45 
      1  -0.103292D+01 -0.724757D-01  0.189027D+00 -0.262391D-01  0.345479D+01
      2  -0.181595D+01  0.859877D+00 -0.262391D-01  0.751643D+00  0.190178D+01
      3   0.859877D+00  0.185491D+01  0.345479D+01  0.190178D+01  0.655387D+00
                46            47            48            49            50 
      1   0.184292D+01 -0.345877D+01  0.531840D+00 -0.640539D+01 -0.128822D+01
      2  -0.345877D+01 -0.630942D+00  0.335951D+00 -0.128822D+01  0.211767D+01
      3   0.531840D+00  0.335951D+00 -0.367736D+01  0.554166D+00 -0.453433D+00
                51            52            53            54            55 
      1   0.554166D+00  0.240797D+01  0.487611D+00 -0.658733D+01  0.397574D+01
      2  -0.453433D+00  0.487611D+00 -0.419243D+00 -0.317312D+01  0.184063D+01
      3  -0.261700D+01 -0.658733D+01 -0.317312D+01  0.941312D+00  0.215350D+00
                56            57            58            59            60 
      1   0.184063D+01  0.215350D+00 -0.169860D+01 -0.388218D+00  0.201988D+01
      2  -0.268198D+01  0.339305D+00 -0.388218D+00  0.126281D+01 -0.321421D+00
      3   0.339305D+00  0.456450D+01  0.201988D+01 -0.321421D+00 -0.105430D+01
                61            62            63            64            65 
      1   0.487740D+01 -0.196472D+01  0.680966D+01 -0.179783D+01 -0.124312D+01
      2  -0.196472D+01  0.987724D+00  0.869323D+00 -0.124312D+01  0.483566D-02
      3   0.680966D+01  0.869323D+00  0.677417D+01  0.166105D+01  0.195909D+01
                66            67            68            69            70 
      1   0.166105D+01  0.198546D+01  0.102295D+01 -0.821262D-01 -0.103515D+01
      2   0.195909D+01  0.102295D+01 -0.143591D+01  0.141446D+01 -0.956427D+00
      3   0.723986D+00 -0.821262D-01  0.141446D+01  0.401110D+01  0.187342D+01
                71            72            73            74            75 
      1  -0.956427D+00  0.187342D+01 -0.762084D+01  0.126544D+01  0.597372D-01
      2   0.451497D+01  0.298112D+01  0.126544D+01 -0.174384D+01  0.350048D+01
      3   0.298112D+01  0.855224D+01  0.597372D-01  0.350048D+01  0.326814D+00
                76            77            78            79            80 
      1   0.125757D+01  0.117696D+00 -0.175107D+00  0.224013D+00  0.252327D+01
      2   0.117696D+00  0.133900D+02  0.153745D+01  0.252327D+01  0.116657D+01
      3  -0.175107D+00  0.153745D+01  0.190190D+01 -0.870137D+00  0.818574D+00
                81            82            83            84            85 
      1  -0.870137D+00  0.650946D+00 -0.291105D+01 -0.194953D+01 -0.105182D+01
      2   0.818574D+00 -0.291105D+01 -0.474743D+01 -0.843120D+00 -0.295218D+01
      3  -0.328573D+01 -0.194953D+01 -0.843120D+00  0.161842D+01  0.397870D+00
                86            87            88            89            90 
      1  -0.295218D+01  0.397870D+00 -0.138582D+01 -0.154471D+00  0.232384D+01
      2  -0.914402D+01 -0.142006D+01 -0.154471D+00  0.152649D+01 -0.121776D+01
      3  -0.142006D+01  0.221090D-01  0.232384D+01 -0.121776D+01  0.224847D+00
                91            92            93            94            95 
      1  -0.879041D+00 -0.280082D+01  0.194173D+01 -0.751042D+00  0.272422D+01
      2  -0.280082D+01  0.463447D+01 -0.100848D+01  0.272422D+01 -0.901014D+01
      3   0.194173D+01 -0.100848D+01 -0.159012D+01  0.258310D+00  0.161870D+01
                96            97            98            99           100 
      1   0.258310D+00  0.105631D+01 -0.396275D+00 -0.231749D+01  0.909713D+01
      2   0.161870D+01 -0.396275D+00 -0.143007D+01 -0.126062D+01  0.791529D+00
      3   0.244105D-01 -0.231749D+01 -0.126062D+01 -0.260222D+00 -0.144215D+00
               101           102           103           104           105 
      1   0.791529D+00 -0.144215D+00  0.486801D+00  0.607036D+00 -0.229121D+00
      2   0.206604D+01  0.297067D+01  0.607036D+00  0.129527D+02 -0.149325D+01
      3   0.297067D+01 -0.484628D+00 -0.229121D+00 -0.149325D+01  0.170597D+01
               106           107           108           109           110 
      1   0.436165D+00  0.259662D+01  0.116837D+01 -0.122077D+02  0.467980D+01
      2   0.259662D+01 -0.117045D+01  0.123433D+01  0.467980D+01 -0.644234D+01
      3   0.116837D+01  0.123433D+01  0.336801D+01  0.231174D+00 -0.160717D+01
               111           112           113           114           115 
      1   0.231174D+00  0.109738D+02 -0.508675D+01 -0.258463D+01  0.820555D+01
      2  -0.160717D+01 -0.508675D+01  0.106375D+01  0.335045D+00 -0.279739D+00
      3  -0.487461D+00 -0.258463D+01  0.335045D+00  0.223833D+01 -0.332858D+01
               116           117           118           119           120 
      1  -0.279739D+00 -0.332858D+01 -0.160600D+02 -0.327052D+01 -0.559931D+01
      2   0.339202D+01  0.135170D+01 -0.327052D+01 -0.296714D+01 -0.127204D+01
      3   0.135170D+01  0.164099D+01 -0.559931D+01 -0.127204D+01 -0.353697D+01
               121           122           123           124           125 
      1  -0.973039D+01 -0.226217D+00  0.369626D+01 -0.450585D+01  0.287650D+01
      2  -0.226217D+00 -0.726335D+00 -0.145298D+00  0.287650D+01  0.232021D+01
      3   0.369626D+01 -0.145298D+00 -0.114426D+01  0.185056D+01 -0.322594D+00
               126           127           128           129           130 
      1   0.185056D+01 -0.283895D+01  0.252329D+01  0.868211D+00 -0.838618D+00
      2  -0.322594D+00  0.252329D+01  0.288517D+01  0.556246D+00  0.643202D+00
      3  -0.120842D+01  0.868211D+00  0.556246D+00 -0.423833D+01  0.195932D+01
               131           132           133           134           135 
      1   0.643202D+00  0.195932D+01 -0.543225D+01 -0.196148D+01 -0.648939D+01
      2   0.100746D+01  0.442105D+00 -0.196148D+01 -0.665436D+00  0.886797D+00
      3   0.442105D+00 -0.823421D+00 -0.648939D+01  0.886797D+00 -0.709054D+01
               136           137           138           139           140 
      1   0.883886D+00 -0.107196D+01 -0.150619D+01  0.202706D+01 -0.149452D+01
      2  -0.107196D+01  0.237248D+00  0.176114D+01 -0.149452D+01 -0.148511D+01
      3  -0.150619D+01  0.176114D+01 -0.570834D+00 -0.526835D+00 -0.186116D+01
               141           142           143           144           145 
      1  -0.526835D+00  0.573931D+00 -0.134153D+01 -0.171420D+01  0.528230D+01
      2  -0.186116D+01 -0.134153D+01 -0.446516D+01  0.274352D+01 -0.299458D+01
      3   0.378926D+01 -0.171420D+01  0.274352D+01 -0.872077D+01 -0.918940D+00
               146           147           148           149           150 
      1  -0.299458D+01 -0.918940D+00 -0.740140D+01  0.732710D+01 -0.217966D+00
      2   0.363216D+01 -0.132484D+01  0.732710D+01 -0.602643D+01 -0.668287D+00
      3  -0.132484D+01 -0.105495D+01 -0.217966D+00 -0.668287D+00 -0.162482D+01
               151           152           153           154           155 
      1  -0.238499D+01 -0.232653D+01 -0.104986D+00  0.102073D+01 -0.252661D+01
      2  -0.232653D+01 -0.248657D+00 -0.235030D+01 -0.252661D+01 -0.403332D+00
      3  -0.104986D+00 -0.235030D+01 -0.178410D+01 -0.260680D+01  0.336525D+01
               156           157           158           159           160 
      1  -0.260680D+01 -0.383227D+01 -0.338002D+00  0.428967D+01 -0.302781D+01
      2   0.336525D+01 -0.338002D+00  0.679686D+00 -0.158677D+01  0.408994D+01
      3   0.176817D+01  0.428967D+01 -0.158677D+01  0.493454D+00  0.198602D+01
               161           162           163           164           165 
      1   0.408994D+01  0.198602D+01  0.524392D+01  0.299585D+01  0.657881D+00
      2  -0.164216D+01  0.892660D+00  0.299585D+01  0.154229D+01 -0.286787D+01
      3   0.892660D+00 -0.162717D+01  0.657881D+00 -0.286787D+01 -0.366984D+00
               166           167           168           169           170 
      1   0.526403D+01  0.280636D+01 -0.432499D+01  0.726926D+00 -0.435334D+01
      2   0.280636D+01 -0.410667D+00  0.891301D+00 -0.435334D+01  0.709634D+00
      3  -0.432499D+01  0.891301D+00 -0.169791D+01  0.546873D+00 -0.190638D+01
               171           172           173           174           175 
      1   0.546873D+00  0.440799D+01  0.718751D+00  0.786571D+00  0.425212D+01
      2  -0.190638D+01  0.718751D+00  0.662675D+00  0.242147D+01  0.289822D+01
      3   0.652127D+00  0.786571D+00  0.242147D+01  0.203290D+01  0.309358D+01
               176           177           178           179           180 
      1   0.289822D+01  0.309358D+01 -0.629983D+00  0.213439D+01  0.317611D+01
      2   0.350348D+01 -0.210833D+00  0.213439D+01 -0.874945D+00  0.299780D+01
      3  -0.210833D+00  0.246538D+01  0.317611D+01  0.299780D+01  0.278968D+01
               181           182           183           184           185 
      1  -0.223118D-01 -0.597567D+01  0.108485D+00  0.161952D+01 -0.251557D+00
      2  -0.597567D+01 -0.313325D+00 -0.337594D+01 -0.251557D+00 -0.850713D+01
      3   0.108485D+00 -0.337594D+01 -0.443635D-01 -0.335024D+01  0.351238D+00
               186           187           188           189           190 
      1  -0.335024D+01  0.104773D+00 -0.496025D+01  0.226768D+00  0.912179D+01
      2   0.351238D+00 -0.496025D+01  0.141368D+00 -0.424288D+01 -0.184846D+01
      3  -0.727079D+00  0.226768D+00 -0.424288D+01  0.207067D+00 -0.609081D+00
               191           192           193           194           195 
      1  -0.184846D+01 -0.609081D+00 -0.497121D+01  0.176049D+01  0.891311D-02
      2   0.775878D+00  0.850271D+00  0.176049D+01 -0.111663D+02 -0.288067D+01
      3   0.850271D+00  0.157796D+01  0.891311D-02 -0.288067D+01 -0.313288D+01
               196           197           198           199           200 
      1  -0.355155D+01  0.111823D+01  0.843148D+00 -0.989663D+01 -0.116441D+01
      2   0.111823D+01 -0.196739D+01 -0.347199D+01 -0.116441D+01 -0.103131D+01
      3   0.843148D+00 -0.347199D+01 -0.711800D+01  0.687310D+00  0.741499D+00
               201           202           203           204           205 
      1   0.687310D+00 -0.382079D+01 -0.208569D+01  0.300196D+00  0.381824D+01
      2   0.741499D+00 -0.208569D+01 -0.101203D+02  0.310207D+01  0.994219D+00
      3  -0.185709D+01  0.300196D+00  0.310207D+01 -0.297522D+01 -0.119016D+01
               206           207           208           209           210 
      1   0.994219D+00 -0.119016D+01 -0.201589D+01  0.103761D+01  0.245137D+01
      2   0.232146D+01 -0.325333D+01  0.103761D+01 -0.735197D+00 -0.141210D+01
      3  -0.325333D+01  0.811761D+01  0.245137D+01 -0.141210D+01 -0.418887D+01
               211           212           213           214           215 
      1   0.898228D+00 -0.483823D+00 -0.645896D+00  0.225566D+01 -0.332174D+00
      2  -0.483823D+00  0.691154D+00  0.459692D+00 -0.332174D+00  0.705168D+00
      3  -0.645896D+00  0.459692D+00 -0.136088D+00 -0.237371D+01  0.227812D+00
               216           217           218           219           220 
      1  -0.237371D+01  0.428399D+00 -0.362854D+00 -0.161137D-01 -0.100761D+01
      2   0.227812D+00 -0.362854D+00  0.331419D+00 -0.232489D-01  0.946650D+00
      3   0.387317D+01 -0.161137D-01 -0.232489D-01 -0.928303D+00 -0.128368D+01
               221           222           223           224           225 
      1   0.946650D+00 -0.128368D+01  0.575753D+00 -0.227581D+00 -0.271994D-01
      2  -0.331970D+01  0.346553D+01 -0.227581D+00  0.222068D+01 -0.264525D+01
      3   0.346553D+01 -0.448755D+01 -0.271994D-01 -0.264525D+01  0.420536D+01
               226           227           228           229           230 
      1  -0.885855D+00 -0.546229D+00 -0.776799D+00 -0.172609D+01 -0.868359D-01
      2  -0.546229D+00 -0.436924D+00  0.211299D+00 -0.868359D-01  0.822392D+00
      3  -0.776799D+00  0.211299D+00 -0.986654D+00  0.445607D-01 -0.681938D+00
               231           232           233           234           235 
      1   0.445607D-01 -0.415260D+01 -0.775911D+00  0.129955D+01  0.120713D+00
      2  -0.681938D+00 -0.775911D+00 -0.124489D+01  0.134215D+01  0.882921D+00
      3  -0.561334D+00  0.129955D+01  0.134215D+01 -0.578652D+01  0.193022D+00
               236           237           238           239           240 
      1   0.882921D+00  0.193022D+00  0.317252D+01  0.211068D+01 -0.759427D+00
      2   0.764423D+00 -0.706671D-01  0.211068D+01  0.885248D+01 -0.126177D+01
      3  -0.706671D-01 -0.323594D+00 -0.759427D+00 -0.126177D+01  0.788201D+00
               241           242           243           244           245 
      1   0.102248D+00 -0.734377D-01  0.166083D+00  0.592680D+01  0.210502D+01
      2  -0.734377D-01  0.307632D-01  0.964185D+00  0.210502D+01  0.125446D+01
      3   0.166083D+00  0.964185D+00 -0.456951D+00 -0.339345D+01 -0.107334D+01
               246           247           248           249           250 
      1  -0.339345D+01  0.260657D+01  0.189574D+01 -0.122212D+01 -0.613139D+01
      2  -0.107334D+01  0.189574D+01  0.119412D+01 -0.138383D+01 -0.187203D+01
      3   0.249935D+01 -0.122212D+01 -0.138383D+01  0.138085D+01  0.505899D+01
               251           252           253           254           255 
      1  -0.187203D+01  0.505899D+01  0.419515D+01  0.200034D+01  0.180915D+01
      2  -0.169415D+01  0.225327D+01  0.200034D+01  0.123495D+01  0.648853D+00
      3   0.225327D+01 -0.484751D+01  0.180915D+01  0.648853D+00  0.149416D+01
               256           257           258           259           260 
      1   0.298444D+01  0.187673D+01  0.760161D+00  0.430367D+01  0.157628D+01
      2   0.187673D+01  0.154940D+01  0.109000D+01  0.157628D+01  0.188283D+01
      3   0.760161D+00  0.109000D+01  0.113538D+01  0.296041D+01  0.171117D+01
               261           262           263           264           265 
      1   0.296041D+01 -0.228414D+01 -0.139946D+01 -0.960619D+00 -0.199236D+01
      2   0.171117D+01 -0.139946D+01 -0.441771D+00 -0.184959D+00 -0.920353D-01
      3   0.290048D+01 -0.960619D+00 -0.184959D+00 -0.116565D+01  0.104809D-01
               266           267           268           269           270 
      1  -0.920353D-01  0.104809D-01 -0.171658D+01 -0.169891D+00 -0.232584D+00
      2  -0.839127D+00 -0.933796D+00 -0.169891D+00 -0.165600D+01 -0.151305D+01
      3  -0.933796D+00 -0.114492D+01 -0.232584D+00 -0.151305D+01 -0.360244D+01
               271           272           273           274           275 
      1   0.131849D+02 -0.420742D+01 -0.159955D+01 -0.416884D+01  0.296079D+01
      2  -0.420742D+01  0.235310D+01  0.342928D+00  0.296079D+01 -0.182308D+01
      3  -0.159955D+01  0.342928D+00  0.724979D+00  0.573979D+00 -0.391966D+00
               276           277           278           279           280 
      1   0.573979D+00 -0.499755D+00  0.291197D+00  0.124280D+01  0.890706D+01
      2  -0.391966D+00  0.291197D+00 -0.168927D+00 -0.779880D+00 -0.140528D+01
      3  -0.584878D+00  0.124280D+01 -0.779880D+00 -0.344849D+00  0.396462D+01
               281           282           283           284           285 
      1  -0.140528D+01  0.396462D+01  0.238729D+00  0.143189D+01 -0.502330D-01
      2   0.734397D+00 -0.855235D+00  0.143189D+01 -0.943919D+00  0.813180D+00
      3  -0.855235D+00  0.304355D+01 -0.502330D-01  0.813180D+00  0.319942D+00
               286           287           288           289           290 
      1   0.771079D+01 -0.195997D+01  0.505032D+01 -0.195031D+00 -0.110504D+01
      2  -0.195997D+01  0.112206D+01 -0.110188D+01 -0.110504D+01 -0.448446D+00
      3   0.505032D+01 -0.110188D+01  0.514440D+01  0.338578D-01  0.150061D+00
               291           292           293           294           295 
      1   0.338578D-01 -0.345506D+01  0.222285D+01 -0.217982D+00  0.493297D+00
      2   0.150061D+00  0.222285D+01 -0.752091D+01  0.974399D+00 -0.325371D+00
      3   0.536584D-01 -0.217982D+00  0.974399D+00 -0.914973D+00  0.848078D+00
               296           297           298           299           300 
      1  -0.325371D+00  0.848078D+00  0.270532D+01  0.331183D+01  0.991138D+00
      2   0.217873D+00 -0.705973D+00  0.331183D+01  0.663003D+01  0.120281D+01
      3  -0.705973D+00  0.504522D+00  0.991138D+00  0.120281D+01  0.639818D+00
               301           302           303           304           305 
      1   0.243813D+01  0.308150D+01  0.763001D+00  0.549646D+00  0.691236D+00
      2   0.308150D+01  0.114929D+02  0.169692D+01  0.691236D+00  0.733999D+00
      3   0.763001D+00  0.169692D+01  0.115687D+01  0.479023D+00  0.182269D+01
               306           307           308           309           310 
      1   0.479023D+00 -0.306804D+01  0.135467D+01  0.151527D+01  0.470968D+00
      2   0.182269D+01  0.135467D+01 -0.139448D+01 -0.103435D+01 -0.726883D+00
      3   0.741461D+00  0.151527D+01 -0.103435D+01 -0.172366D+01 -0.482431D+00
               311           312           313           314           315 
      1  -0.726883D+00 -0.482431D+00  0.168734D+01 -0.996540D+00 -0.154353D+01
      2   0.182183D+01  0.119485D+01 -0.996540D+00  0.223116D+01  0.152053D+01
      3   0.119485D+01  0.840701D+00 -0.154353D+01  0.152053D+01  0.268409D+01
               316           317           318           319           320 
      1   0.300207D+01  0.137238D+01 -0.155264D+01  0.492648D+00  0.634613D+00
      2   0.137238D+01  0.129627D+01 -0.102722D+01  0.634613D+00  0.165497D+01
      3  -0.155264D+01 -0.102722D+01  0.181951D+01 -0.441736D+00 -0.112630D+01
               321           322           323           324           325 
      1  -0.441736D+00 -0.161437D+01 -0.102582D+01  0.155103D+01 -0.248485D+01
      2  -0.112630D+01 -0.102582D+01 -0.210584D+01  0.147591D+01  0.311130D+01
      3   0.754478D+00  0.155103D+01  0.147591D+01 -0.271286D+01 -0.101343D+01
               326           327           328           329           330 
      1   0.311130D+01 -0.101343D+01  0.228721D+01 -0.287075D+01  0.795265D+00
      2  -0.652702D+01  0.132050D+01 -0.287075D+01  0.114400D+02 -0.186763D+01
      3   0.132050D+01 -0.662006D+00  0.795265D+00 -0.186763D+01  0.122754D+01
               331           332           333           334           335 
      1  -0.579181D+00  0.741460D+00 -0.460795D+00  0.253780D+01  0.103545D+01
      2   0.741460D+00 -0.938810D+00  0.186048D+01  0.103545D+01  0.671059D+00
      3  -0.460795D+00  0.186048D+01 -0.811005D+00 -0.257336D+01 -0.128001D+01
               336           337           338           339           340 
      1  -0.257336D+01  0.885613D+00  0.495256D+00 -0.497571D+00 -0.230412D+01
      2  -0.128001D+01  0.495256D+00  0.637885D+00 -0.404282D+00 -0.309076D+00
      3   0.414208D+01 -0.497571D+00 -0.404282D+00 -0.362764D+00  0.234922D+01
               341           342           343           344           345 
      1  -0.309076D+00  0.234922D+01 -0.321991D+00 -0.434417D+00 -0.129838D+00
      2  -0.678256D+00  0.810245D-01 -0.434417D+00 -0.343845D+00 -0.255378D-01
      3   0.810245D-01 -0.358200D+01 -0.129838D+00 -0.255378D-01  0.967069D+00
               346           347           348           349           350 
      1  -0.103191D+01 -0.836210D+00 -0.117483D+01 -0.510067D+00 -0.196935D+00
      2  -0.836210D+00 -0.331704D+01 -0.343923D+01 -0.196935D+00 -0.228067D+01
      3  -0.117483D+01 -0.343923D+01 -0.451521D+01  0.858555D-01 -0.265999D+01
               351           352           353           354           355 
      1   0.858555D-01 -0.542857D+01  0.313239D+01  0.127990D+00  0.620236D+01
      2  -0.265999D+01  0.313239D+01 -0.331992D+01  0.316111D+00 -0.557947D+01
      3  -0.399883D+01  0.127990D+00  0.316111D+00 -0.241789D+00 -0.574683D+00
               356           357           358           359           360 
      1  -0.557947D+01 -0.574683D+00 -0.232733D+01  0.188974D+01 -0.505295D+00
      2   0.807500D+01 -0.678087D-02  0.188974D+01 -0.211935D+01  0.125971D+01
      3  -0.678087D-02  0.103266D+01 -0.505295D+00  0.125971D+01 -0.589891D+00
               361           362           363           364           365 
      1   0.246252D+01  0.635476D+00  0.717654D+00  0.193199D+01 -0.574246D+00
      2   0.635476D+00  0.650693D+00  0.831436D+00 -0.574246D+00  0.242609D+01
      3   0.717654D+00  0.831436D+00  0.106662D+01 -0.933553D-01  0.142625D+01
               366           367           368           369           370 
      1  -0.933553D-01  0.226556D+01  0.566192D+00 -0.157802D+00 -0.792147D+01
      2   0.142625D+01  0.566192D+00  0.179751D+01  0.240898D+01  0.255714D+01
      3   0.128795D+01 -0.157802D+00  0.240898D+01  0.382898D+01  0.393866D+01
               371           372           373           374           375 
      1   0.255714D+01  0.393866D+01  0.385635D+01 -0.229414D+01 -0.229808D+01
      2  -0.143729D+01 -0.175289D+01 -0.229414D+01  0.203350D+01  0.181009D+01
      3  -0.175289D+01 -0.287000D+01 -0.229808D+01  0.181009D+01  0.169590D+01
               376           377           378           379           380 
      1   0.389787D+01 -0.162350D+01 -0.364688D+01  0.246958D+01 -0.100328D+01
      2  -0.162350D+01  0.120063D+01  0.146042D+01 -0.100328D+01  0.791100D+00
      3  -0.364688D+01  0.146042D+01  0.358503D+01  0.858671D+00 -0.484418D+00
               381           382           383           384           385 
      1   0.858671D+00 -0.195929D+01  0.643891D+00 -0.550863D+00  0.163760D+01
      2  -0.484418D+00  0.643891D+00 -0.187398D+01  0.122428D+01 -0.513521D+00
      3   0.494963D+00 -0.550863D+00  0.122428D+01 -0.181108D+01 -0.292109D+00
               386           387           388           389           390 
      1  -0.513521D+00 -0.292109D+00 -0.108906D+02 -0.372329D+01  0.125919D+01
      2   0.125984D+01 -0.120654D+01 -0.372329D+01 -0.201128D+01  0.588919D+00
      3  -0.120654D+01  0.316709D+01  0.125919D+01  0.588919D+00 -0.833705D+00
               391           392           393           394           395 
      1  -0.620743D+01 -0.347655D+01  0.112239D+01  0.306782D+01  0.148313D+01
      2  -0.347655D+01 -0.259555D+01  0.324424D+00  0.148313D+01  0.584218D+00
      3   0.112239D+01  0.324424D+00 -0.477549D+00 -0.176845D+01 -0.470793D+00
               396           397           398           399           400 
      1  -0.176845D+01 -0.463099D+01  0.134460D+01 -0.187455D+01  0.324343D+01
      2  -0.470793D+00  0.134460D+01 -0.105374D+01  0.815856D+00 -0.244591D+01
      3   0.808145D+00 -0.187455D+01  0.815856D+00 -0.112165D+01  0.193632D+01
               401           402           403           404           405 
      1  -0.244591D+01  0.193632D+01 -0.376779D+01  0.165468D+01 -0.230565D+01
      2   0.246256D+01 -0.141204D+01  0.165468D+01 -0.133396D+01  0.142363D+01
      3  -0.141204D+01  0.188495D+01 -0.230565D+01  0.142363D+01 -0.285697D+01
               406           407           408           409           410 
      1   0.306840D+00 -0.107458D+01  0.112833D+01 -0.407459D+01 -0.223453D+01
      2  -0.107458D+01 -0.692582D-01 -0.366569D-01 -0.223453D+01 -0.512767D+01
      3   0.112833D+01 -0.366569D-01  0.158536D+00 -0.511572D+00  0.652744D+00
               411           412           413           414           415 
      1  -0.511572D+00  0.359408D+01  0.153307D+00 -0.334471D+00 -0.350451D+01
      2   0.652744D+00  0.153307D+00  0.155576D+01 -0.119260D+01 -0.141347D+01
      3  -0.998710D+00 -0.334471D+00 -0.119260D+01  0.548369D+00 -0.232832D+01
               416           417           418           419           420 
      1  -0.141347D+01 -0.232832D+01 -0.240996D+01 -0.214331D+01 -0.158815D+01
      2  -0.108865D+01 -0.140254D+01 -0.214331D+01 -0.255475D+01 -0.187870D+01
      3  -0.140254D+01 -0.191772D+01 -0.158815D+01 -0.187870D+01 -0.190995D+01
               421           422           423 
      1  -0.500551D+01 -0.247180D+01 -0.390670D+01
      2  -0.247180D+01 -0.232398D+01 -0.319688D+01
      3  -0.390670D+01 -0.319688D+01 -0.581793D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.775796D+01 -0.640971D-01 -0.362600D+01  0.327380D+01  0.704170D+01
      2   0.386314D+01  0.316911D+01  0.108110D+02  0.101470D+02  0.561067D+01
      3  -0.164314D+02  0.301456D+01  0.282053D+01  0.146644D+02  0.209056D+02
                 6             7             8             9            10 
      1  -0.527915D+01  0.407909D+01  0.789452D+01 -0.135240D+02 -0.298042D+01
      2   0.372651D+01 -0.163085D+02 -0.603951D+01  0.271084D+02 -0.264848D+02
      3  -0.233606D+01  0.486330D+01  0.200158D+01 -0.174273D+00  0.197443D+02
                11            12            13            14            15 
      1   0.157032D+02 -0.150442D+01  0.352356D+02 -0.598522D+01 -0.559449D+01
      2  -0.156831D+02  0.190178D+01 -0.452562D+02 -0.809138D+01  0.191652D+02
      3  -0.121138D+02  0.678222D+01  0.118740D+01  0.125426D+02 -0.134879D+02
                16            17            18            19            20 
      1   0.156571D+01 -0.112590D+02  0.118638D+02 -0.110311D+02  0.132212D+02
      2   0.111004D+02  0.295835D+01 -0.205906D+02 -0.292454D+02  0.192061D+01
      3  -0.874268D+01  0.855836D+01  0.279434D+01  0.181973D+02 -0.125446D+02
                21            22            23            24            25 
      1  -0.117697D+02 -0.786886D+01 -0.165278D+01 -0.286803D+01  0.135330D+02
      2  -0.654470D+01  0.386293D+02 -0.104539D+02 -0.198516D+02 -0.414113D+02
      3   0.986407D+01 -0.204456D+01  0.154905D+01  0.166653D+02  0.934735D+00
                26            27            28            29            30 
      1  -0.576605D+01  0.757916D+00 -0.259947D+00  0.192736D+01 -0.229003D+01
      2  -0.844975D+01  0.821174D+01  0.106571D+01  0.406040D+00 -0.540931D+01
      3   0.159643D+02 -0.978167D+01  0.256438D+01 -0.534270D+01 -0.902606D-01
                31            32            33            34            35 
      1   0.765816D+00  0.105886D+02 -0.607922D+01 -0.894873D+01  0.126047D+01
      2  -0.579645D+01  0.510281D+01 -0.483555D+01 -0.172045D+02 -0.309669D+01
      3   0.142708D+02 -0.286673D+02 -0.805648D+00  0.120598D+01 -0.615974D+01
                36            37            38            39            40 
      1   0.276531D+00 -0.414208D+01  0.561137D+00  0.236770D+01  0.528211D+00
      2   0.358339D+00 -0.222956D+01  0.314475D+01  0.179772D+02  0.285804D+01
      3   0.825405D+01 -0.213960D+02 -0.239906D+01  0.159796D+00  0.865034D+00
                41            42            43            44            45 
      1   0.240177D+01 -0.167571D+01  0.311068D+01  0.315371D+01 -0.210945D+01
      2   0.525604D+01  0.104732D+02  0.188957D+02  0.110602D+02  0.514396D+01
      3   0.140874D+02 -0.567589D+01 -0.230331D+01 -0.473853D+01 -0.123095D+02
                46            47            48            49            50 
      1   0.527183D+01 -0.214197D+00  0.366246D+01 -0.267970D+01 -0.345610D+01
      2   0.529188D+01 -0.107774D+01 -0.188255D+02 -0.403057D+00 -0.402319D+01
      3   0.253084D+02 -0.364326D+01 -0.230946D+01 -0.193270D+01 -0.152603D+02
                51            52            53            54            55 
      1   0.256880D+01  0.750812D+01  0.728887D+01  0.106645D+01  0.262772D+01
      2  -0.126885D+02 -0.397569D+02 -0.165475D+02  0.843227D+00 -0.161727D+02
      3   0.510532D+01  0.221716D+00  0.303531D+01  0.817479D+01  0.241613D+02
                56            57            58            59            60 
      1  -0.115603D+02  0.618483D+01 -0.113403D+02 -0.471806D+01 -0.342190D+01
      2  -0.361615D+01  0.170459D+02  0.216324D+02  0.500654D+01 -0.677009D+01
      3   0.738311D+01 -0.643150D+01  0.970171D+00  0.377595D+01  0.597838D+01
                61            62            63            64            65 
      1  -0.186783D+02  0.100337D+02 -0.107656D+02 -0.621099D+01 -0.843781D+01
      2   0.129734D+02  0.604704D+01  0.728919D+01  0.250639D+02  0.854728D+01
      3   0.503257D+01 -0.734100D+01  0.133040D+02 -0.206881D+02 -0.323019D+00
                66            67            68            69            70 
      1   0.120138D+00  0.280241D+01 -0.147938D+02  0.809551D+01 -0.741999D+01
      2   0.555584D+01 -0.846484D+01  0.719572D+01  0.473859D+01  0.430603D+01
      3  -0.140384D+01  0.745812D+01  0.954494D+01 -0.169364D+02 -0.225687D+01
                71            72            73            74            75 
      1   0.938931D+01 -0.125773D+02  0.317104D+02 -0.157017D+02  0.103159D+02
      2   0.948344D+01  0.164187D+02  0.856140D+01 -0.214709D+01  0.464749D+01
      3  -0.712087D+01  0.201817D+00 -0.356593D+02  0.392696D+01 -0.945756D+01
                76            77            78            79            80 
      1   0.948091D+01  0.458842D+02  0.479618D+01  0.120537D+02  0.647616D+01
      2  -0.820141D+01  0.699311D+01  0.651220D+01  0.165195D+00  0.655695D+01
      3  -0.427361D+01 -0.378927D+02 -0.722449D+01 -0.122365D+02  0.488387D+01
                81            82            83            84            85 
      1   0.233586D+02  0.391398D+01  0.362596D+00 -0.116649D+02 -0.104545D+02
      2  -0.969378D+01 -0.294835D+01  0.373044D+01  0.564697D+01  0.174702D+01
      3  -0.191178D+02  0.698989D+01 -0.174890D+02 -0.768352D+01  0.152244D+01
                86            87            88            89            90 
      1  -0.163241D+02 -0.672555D+01 -0.144577D+02  0.825938D+01 -0.876970D+01
      2  -0.919689D+00  0.133223D+01  0.151782D+01  0.225871D+01 -0.315218D+01
      3  -0.557487D+00  0.551484D+01 -0.783707D+01 -0.567075D+00  0.135708D+02
                91            92            93            94            95 
      1  -0.328593D+01  0.125344D+01  0.117434D+02 -0.968515D+01  0.154818D+02
      2  -0.203800D+01 -0.411504D+01  0.532185D+01 -0.870061D-01 -0.186769D+01
      3  -0.725592D+01 -0.179154D+02  0.789613D+01  0.160602D+01  0.153723D+01
                96            97            98            99           100 
      1  -0.704038D+01  0.150116D+02  0.845384D+01  0.930969D+01 -0.316479D+02
      2  -0.108282D+01  0.685344D+00 -0.279761D+01 -0.315374D+01  0.180708D+02
      3   0.489360D+01  0.665956D+01 -0.110132D+01 -0.134081D+02  0.386362D+02
               101           102           103           104           105 
      1  -0.131208D+02 -0.971270D+01  0.731016D+01 -0.448948D+02  0.607634D+01
      2   0.409739D+01  0.441915D+01  0.497608D+01  0.887941D+01 -0.580824D+01
      3   0.207851D+01  0.758305D+01 -0.428960D+01  0.378788D+02 -0.718754D+01
               106           107           108           109           110 
      1  -0.124890D+02  0.336192D+01 -0.258744D+02  0.787139D+01  0.144412D+02
      2   0.118035D+00 -0.718657D+01 -0.632771D+01 -0.287103D+02  0.133552D+02
      3   0.139936D+02  0.611256D+01  0.211565D+02 -0.196097D+02 -0.134792D+02
               111           112           113           114           115 
      1  -0.998707D+00  0.367594D+02  0.291690D+01 -0.478797D+01 -0.462090D+01
      2  -0.294966D+01  0.358101D+02 -0.133709D+02 -0.178341D+02  0.981617D+01
      3  -0.661282D+01 -0.327620D+01 -0.141924D+02 -0.909526D+01  0.445329D+01
               116           117           118           119           120 
      1  -0.108600D+02 -0.124590D+02  0.144554D+02  0.139226D+02  0.103929D+02
      2  -0.205679D+01 -0.201842D+02 -0.328152D+02 -0.619082D+01 -0.674626D+01
      3   0.867853D+01 -0.251542D+01 -0.168546D+02 -0.142478D+02 -0.803540D+01
               121           122           123           124           125 
      1  -0.101919D+02  0.262965D+01 -0.271843D+01 -0.158315D+02 -0.586811D+01
      2  -0.346250D+02 -0.670424D+01  0.238554D+02 -0.379865D+02  0.956299D+01
      3   0.255215D+01  0.183440D+01  0.150243D+02  0.359700D+01  0.155308D+02
               126           127           128           129           130 
      1   0.127802D+01 -0.817717D+01 -0.132433D+02 -0.560292D+01 -0.129517D+02
      2   0.120370D+02 -0.189605D+02  0.551861D+01  0.212462D+02 -0.187166D+02
      3   0.871406D+01 -0.180994D+02  0.900666D+01  0.684214D+01  0.317837D+01
               131           132           133           134           135 
      1   0.398962D+01 -0.409787D+01  0.220291D+02  0.923443D+01  0.114917D+02
      2   0.516229D+01  0.713673D+01  0.936270D+01 -0.707592D+01  0.678338D+01
      3  -0.299108D+01  0.473662D+01 -0.853207D+01 -0.680915D+01 -0.124435D+02
               136           137           138           139           140 
      1   0.566155D+01 -0.770151D+01  0.774431D+00  0.689630D+01  0.171591D+02
      2   0.247627D+02 -0.769471D+01  0.541726D+01  0.989530D+01  0.563508D+01
      3   0.186374D+02 -0.526787D+00  0.878893D+00  0.417555D+01 -0.124472D+02
               141           142           143           144           145 
      1   0.906102D+01  0.874766D+01  0.115195D+02  0.139046D+02  0.458747D+01
      2  -0.962638D+01  0.438611D+01 -0.977706D+01  0.164670D+02  0.656839D+01
      3  -0.166459D+02  0.159336D+01 -0.724598D+01 -0.147936D+01  0.232311D+01
               146           147           148           149           150 
      1   0.492919D+01  0.255951D+01  0.479215D+01  0.707165D+00  0.134771D+00
      2   0.425870D+01  0.939247D+01 -0.104454D+02  0.488028D+01  0.931255D+01
      3   0.258135D+01 -0.109941D+02  0.140385D+02 -0.624001D+01 -0.242665D+01
               151           152           153           154           155 
      1  -0.427692D+01  0.110416D+02  0.678534D+01 -0.422970D+01 -0.281864D+01
      2  -0.746416D+01  0.182466D+02  0.174443D+02  0.983171D+01 -0.134715D+02
      3  -0.120485D+02 -0.627922D+01 -0.117267D+02 -0.154952D+02 -0.645775D+01
               156           157           158           159           160 
      1   0.486259D+01 -0.568632D+01  0.159267D+01 -0.511127D+01  0.764531D+01
      2  -0.225565D+01 -0.191801D+02  0.809450D+01 -0.109123D+02 -0.763580D+01
      3   0.173807D+02 -0.549678D+01  0.500615D+01 -0.356260D+01  0.224104D+02
               161           162           163           164           165 
      1  -0.330090D+00  0.231824D+01  0.883712D+00 -0.127986D+01 -0.156241D+01
      2  -0.123869D+02  0.490155D+01 -0.298399D+01  0.182940D+02  0.448955D+01
      3  -0.410523D+01  0.768408D+01  0.180165D+02  0.625211D+01 -0.173557D+02
               166           167           168           169           170 
      1  -0.172206D+01 -0.120739D+01 -0.333050D+01 -0.378585D+01 -0.973775D-01
      2   0.296944D+02 -0.337483D+01  0.931609D+01 -0.440820D+01  0.102903D+02
      3   0.187382D+02 -0.351817D+01  0.568467D+01 -0.282800D+02  0.359052D+01
               171           172           173           174           175 
      1  -0.864721D+00 -0.219418D+01  0.285556D+01  0.622922D+00  0.191302D+01
      2  -0.277678D+01  0.712414D+01 -0.847228D+01 -0.516733D+01 -0.537160D+01
      3  -0.107053D+02  0.563563D-01  0.204726D+00  0.958793D+01  0.130067D+02
               176           177           178           179           180 
      1  -0.106749D+02  0.487865D+00  0.569350D+01  0.126626D+02  0.306234D+01
      2   0.134411D+02 -0.790471D+01 -0.209013D+02 -0.141480D+02 -0.461515D+01
      3   0.153121D+02 -0.108257D+02  0.115023D+02 -0.970940D+01  0.116169D+02
               181           182           183           184           185 
      1   0.253406D+01  0.163366D+02  0.210585D+00 -0.259369D+02 -0.141073D+01
      2   0.566004D+02  0.630894D+00  0.265466D+02  0.326883D+01 -0.648530D+01
      3  -0.199766D+01 -0.212737D+02 -0.174679D+01  0.847111D+02 -0.786480D+00
               186           187           188           189           190 
      1  -0.551243D+02 -0.241312D+01  0.242878D+02 -0.997552D+00  0.199029D+01
      2  -0.711220D+00 -0.435758D+02  0.746515D+00 -0.283223D+02  0.170142D+01
      3   0.862157D+01 -0.391256D+01 -0.223653D+02  0.220849D+01 -0.116636D+02
               191           192           193           194           195 
      1  -0.578208D+01 -0.379592D+00 -0.745029D+01  0.763091D+01 -0.777606D+01
      2  -0.220010D+00  0.550793D+01  0.974856D+00  0.158097D+01 -0.179984D+01
      3  -0.859734D+01 -0.753794D+00  0.577161D+01  0.544085D+01  0.722527D+01
               196           197           198           199           200 
      1   0.147181D+01  0.107806D+02 -0.420893D+01 -0.404130D+01 -0.661051D+01
      2  -0.759755D+01  0.613713D+00  0.253745D+01  0.313017D+01 -0.127237D+00
      3  -0.421748D+01  0.480143D+01 -0.142606D+01  0.977307D+01 -0.100691D+02
               201           202           203           204           205 
      1   0.599840D-02 -0.869684D+01 -0.624414D+01 -0.553800D+01 -0.474750D+00
      2   0.732123D+01 -0.245776D+01  0.241752D+01  0.275389D+01 -0.613723D+01
      3   0.274715D+01  0.182748D+01 -0.532574D+01  0.821823D+01  0.735309D+01
               206           207           208           209           210 
      1   0.119233D+02  0.302583D+01  0.189438D+01 -0.202082D+01  0.675837D-01
      2  -0.998937D+00  0.221020D+01  0.927259D+01 -0.494844D+01 -0.906069D+01
      3   0.629962D+01  0.259866D+00 -0.949089D+00  0.217712D+00  0.324049D+01
               211           212           213           214           215 
      1  -0.101886D+01  0.150688D+01  0.966034D+00  0.184372D+01  0.238032D+01
      2  -0.667717D+01  0.221355D+01  0.155475D+01 -0.124142D+02  0.591376D+00
      3   0.309564D+01 -0.621324D+00 -0.802287D+00  0.399375D+01  0.799177D+00
               216           217           218           219           220 
      1  -0.242951D+01 -0.911768D+00  0.209563D+01 -0.546900D+00  0.259751D+01
      2   0.941523D+01 -0.399421D+00  0.791279D+00 -0.135372D+01  0.183242D+01
      3  -0.241420D+01  0.115689D+01 -0.203540D+01 -0.406813D+00  0.858484D+00
               221           222           223           224           225 
      1  -0.838481D+01  0.601367D+01 -0.260314D+00  0.757833D+01 -0.488914D+01
      2   0.370565D+01 -0.461587D+01 -0.237826D+01 -0.510037D+01  0.751355D+01
      3   0.521391D+01 -0.608974D+01 -0.585482D+00 -0.512070D+01  0.514807D+01
               226           227           228           229           230 
      1   0.359177D+01 -0.644697D-01  0.240563D+01 -0.881145D+00  0.112842D+01
      2  -0.712634D+01  0.220054D+00 -0.638209D+01 -0.229352D+01 -0.440175D+01
      3  -0.951470D+00  0.212317D+00 -0.278127D+01 -0.236029D+01 -0.283954D+01
               231           232           233           234           235 
      1   0.187496D+01 -0.319780D+01  0.258980D+00  0.138558D+02 -0.221688D+01
      2  -0.231206D+01 -0.218190D+01  0.562808D+01 -0.267900D+02  0.316788D+01
      3   0.313111D+01 -0.504043D+01  0.101428D+01 -0.274759D+01 -0.456966D+01
               236           237           238           239           240 
      1  -0.961078D+00  0.404971D+00  0.375552D+00 -0.721966D+01 -0.300589D+01
      2   0.505651D+00 -0.665387D+00 -0.638784D+00 -0.592264D+01  0.331593D+01
      3  -0.574492D+00  0.117781D+01  0.497016D+01 -0.290406D+02  0.187770D+01
               241           242           243           244           245 
      1   0.120376D+00 -0.143262D+01  0.306475D+00  0.174143D+01 -0.861342D+00
      2  -0.205807D+00  0.355839D+01 -0.271227D+01 -0.115428D+02 -0.384834D+01
      3   0.135751D+01 -0.142497D+01 -0.327464D+01 -0.412310D+01 -0.555323D+01
               246           247           248           249           250 
      1  -0.290762D+01  0.649093D+00  0.211611D+00 -0.139831D+01 -0.532398D+01
      2   0.122040D+02 -0.393439D+01 -0.554490D+01  0.676338D+01  0.185902D+02
      3   0.158599D+01 -0.443700D+01 -0.384743D+01  0.509583D+01  0.337412D+00
               251           252           253           254           255 
      1   0.107771D+01  0.463029D+01 -0.356224D+01 -0.102918D+01 -0.259895D+01
      2   0.102849D+02 -0.220814D+02  0.102020D+02  0.420345D+01  0.100170D+02
      3   0.792915D+01 -0.495905D+01 -0.600869D+01 -0.585405D+01 -0.551720D+00
               256           257           258           259           260 
      1  -0.188193D+01 -0.176391D+01 -0.340117D+01 -0.406132D+01 -0.164598D+01
      2   0.520763D+01  0.656326D+01  0.664680D+01  0.155816D+02  0.911927D+01
      3  -0.334687D+01 -0.582072D+01 -0.499548D+01 -0.816435D+00 -0.977209D+01
               261           262           263           264           265 
      1  -0.535289D+01  0.153181D+01  0.127031D+01 -0.100961D+01  0.667049D+00
      2   0.180180D+02 -0.110216D+02 -0.389422D+01 -0.771954D+01 -0.306128D+01
      3  -0.480838D+01  0.126247D+02  0.556714D+01  0.250638D+01  0.742321D+01
               266           267           268           269           270 
      1  -0.214366D+00 -0.100914D+01  0.583568D-01  0.222433D+01 -0.265435D+01
      2  -0.622569D+01 -0.585714D+01 -0.102794D+02 -0.845193D+01 -0.200214D+02
      3   0.551997D+01  0.539464D+01  0.550117D+01  0.903013D+01  0.896127D+01
               271           272           273           274           275 
      1   0.851996D+00 -0.212423D+01  0.149668D+01 -0.102032D+01  0.767125D+00
      2  -0.943255D+00 -0.527331D+00  0.560939D+01 -0.384315D-01 -0.452162D+00
      3   0.100246D+02 -0.125105D+02 -0.438558D+00 -0.910003D+01  0.711372D+01
               276           277           278           279           280 
      1  -0.137403D+01  0.502040D+00  0.339800D+00 -0.413397D-02  0.263212D+01
      2  -0.385307D+01  0.363230D+01 -0.383268D+01 -0.126008D+01  0.141276D+01
      3   0.120244D+01 -0.674137D+00  0.348418D+00  0.344590D+01 -0.439861D+01
               281           282           283           284           285 
      1   0.346758D+00  0.409032D+01  0.134935D+01 -0.679680D-01  0.655597D+00
      2  -0.731999D+00  0.966080D+01 -0.127367D+01  0.982256D+00  0.200836D+01
      3  -0.371455D+01 -0.153025D+01 -0.582152D+01  0.316161D+01 -0.329122D+01
               286           287           288           289           290 
      1   0.392825D+01  0.241006D+01  0.509894D+01 -0.284430D+01 -0.212784D+01
      2   0.751830D+01 -0.101900D+01  0.146281D+02  0.133031D+01 -0.751096D-01
      3  -0.411202D+00 -0.364276D+01 -0.118468D+01  0.745865D+01  0.539440D+01
               291           292           293           294           295 
      1  -0.391643D+00  0.165332D+01 -0.862621D+01 -0.364912D+01 -0.881938D+00
      2  -0.336489D+00  0.320819D+01 -0.175057D+01 -0.391443D+01 -0.949689D+00
      3   0.154537D+01 -0.478304D+00  0.338862D+02 -0.271102D+01  0.317636D+01
               296           297           298           299           300 
      1  -0.762249D-01 -0.249131D+01 -0.609312D+00  0.494855D+01 -0.300314D+01
      2  -0.298875D+01 -0.133677D+01 -0.274685D+01 -0.150949D+01  0.635236D+00
      3   0.152345D+01  0.417748D+01  0.113921D+02  0.635658D+01  0.387339D+01
               301           302           303           304           305 
      1  -0.183745D+01  0.714114D+01 -0.668108D+01 -0.207769D+01 -0.506519D+01
      2  -0.201045D+01 -0.244665D+00  0.534095D+00 -0.155441D+01  0.434464D+00
      3   0.117980D+02  0.527723D+01  0.369553D+01  0.271029D+01  0.173703D+01
               306           307           308           309           310 
      1  -0.563993D+00 -0.482141D+01  0.162613D+01  0.758835D+01  0.140242D+01
      2   0.984700D+00  0.790922D+01 -0.119200D+01 -0.204377D+01  0.718441D+00
      3   0.969168D+00 -0.169834D+02  0.370310D+01  0.674660D+01  0.269631D+01
               311           312           313           314           315 
      1  -0.406513D+01 -0.208635D+01  0.573152D+01 -0.166573D+00 -0.803318D+01
      2   0.147461D+01  0.560243D+00 -0.568938D+01  0.194098D+01  0.287148D+01
      3  -0.272077D+01 -0.251295D+01  0.854798D+01 -0.483100D+01 -0.773366D+01
               316           317           318           319           320 
      1   0.445988D+01  0.145320D+01 -0.780375D+01  0.129881D+01  0.400819D+01
      2   0.666315D+01  0.121619D+01 -0.155380D+01 -0.562200D+00  0.937877D+00
      3   0.158640D+02  0.400174D+01 -0.667874D+01  0.292729D+01  0.197456D+01
               321           322           323           324           325 
      1  -0.190812D+01 -0.533017D+01 -0.326002D+00  0.804736D+01  0.107183D+01
      2  -0.464559D+00 -0.492888D+01 -0.195200D+01  0.255423D+01 -0.283416D+01
      3  -0.219040D+01 -0.767207D+01 -0.473261D+01  0.743378D+01 -0.110855D+02
               326           327           328           329           330 
      1   0.472935D+01  0.255297D+01 -0.209552D+01 -0.668554D+01 -0.671496D+01
      2   0.110310D+01  0.623147D+00  0.244667D+01 -0.164887D-01 -0.345937D+00
      3   0.639137D+01 -0.377229D+01  0.116242D+02 -0.582610D+01  0.408081D+01
               331           332           333           334           335 
      1   0.181743D+01 -0.495535D+01  0.877762D+00 -0.212147D+01 -0.191052D+01
      2  -0.187553D+01 -0.156701D+00  0.834852D+00  0.114681D+02  0.514971D+01
      3  -0.317096D+01  0.170131D+01 -0.110768D+01  0.130780D+01 -0.113822D+00
               336           337           338           339           340 
      1  -0.490074D+00 -0.101235D+01 -0.123446D+01  0.121867D+01 -0.187758D+01
      2  -0.812185D+01  0.679668D+01  0.205430D+01 -0.923725D+00 -0.124014D+02
      3  -0.307254D+01  0.262793D+01  0.397381D+00 -0.559445D+00 -0.350686D+01
               341           342           343           344           345 
      1   0.223119D+01  0.233251D+01  0.137908D+01  0.161205D+01  0.423392D+00
      2  -0.267081D+00  0.842527D+01 -0.209960D+00 -0.101988D+01 -0.143278D+01
      3   0.900672D+00  0.199091D+01 -0.126543D+01 -0.170381D+01  0.125539D+00
               346           347           348           349           350 
      1   0.200016D+01  0.882275D+01  0.614831D+01  0.622264D+00  0.754433D+01
      2  -0.222432D+01  0.361277D+01  0.445700D+01 -0.254108D+01  0.487786D+01
      3   0.124969D+01 -0.516678D+01 -0.567369D+01  0.352451D+00 -0.506238D+01
               351           352           353           354           355 
      1   0.509319D+01  0.143726D+01 -0.275976D+01  0.258241D+01 -0.205909D+01
      2   0.701556D+01  0.229576D+01 -0.203471D+01  0.274584D+01  0.244085D+01
      3  -0.528329D+01 -0.172377D+01 -0.541979D+01  0.207424D+01 -0.302761D+01
               356           357           358           359           360 
      1   0.443856D+01 -0.493971D+01  0.176996D+01 -0.323915D+01  0.174124D+01
      2  -0.671319D+00 -0.570536D+01  0.192816D+00 -0.536752D+01  0.114647D+01
      3   0.174338D+02 -0.158683D+01 -0.187947D+00 -0.412040D+01  0.446165D+01
               361           362           363           364           365 
      1  -0.343066D+00 -0.127236D+01 -0.283221D+01  0.139855D+01 -0.157880D+01
      2  -0.904002D+01 -0.585883D+01 -0.702915D+01  0.343089D+00 -0.846978D+01
      3   0.116064D+02  0.473183D+01  0.549679D+01  0.440629D+01  0.769472D+01
               366           367           368           369           370 
      1  -0.294498D+01  0.154615D+01 -0.180381D+01 -0.848078D+01  0.521001D+00
      2  -0.645939D+01 -0.736708D+01 -0.124036D+02 -0.177670D+02 -0.695061D+01
      3   0.549300D+01  0.793308D+01  0.875341D+01  0.106933D+02  0.499993D+01
               371           372           373           374           375 
      1  -0.209882D+01  0.169092D+00 -0.657098D+00  0.242517D+01  0.104354D+00
      2   0.507058D+01  0.107202D+02  0.528451D+01 -0.581270D+01 -0.580074D+01
      3  -0.692446D+01 -0.534866D+01 -0.479381D+01  0.921343D+01  0.627607D+01
               376           377           378           379           380 
      1   0.336666D-01  0.239010D+01 -0.959267D+00 -0.320516D+01  0.323335D+01
      2   0.904136D+01 -0.439325D+01 -0.131374D+02 -0.116988D+02  0.595845D+01
      3  -0.495138D+01  0.531325D+01  0.393083D+01 -0.453904D+01  0.538084D+01
               381           382           383           384           385 
      1  -0.190549D+01  0.394560D+01 -0.620517D+01  0.221795D+01 -0.269764D+01
      2  -0.455930D+01  0.102886D+02 -0.944635D+01  0.109940D+02 -0.596377D+01
      3  -0.324868D+01  0.940703D+01 -0.126644D+02  0.602363D+01 -0.430917D+01
               386           387           388           389           390 
      1   0.489201D+01 -0.377531D+01  0.836594D+00 -0.815449D-01 -0.129590D+01
      2   0.817654D+01 -0.152586D+02 -0.865324D+01 -0.421955D+01  0.752201D+01
      3   0.630471D+01 -0.639370D+01 -0.162838D+02 -0.125218D+02  0.289546D+01
               391           392           393           394           395 
      1   0.126478D+01 -0.243589D+00 -0.160435D+01 -0.512520D+00  0.813695D+00
      2  -0.855397D+01 -0.250052D+01  0.432530D+01  0.858009D+01  0.266298D+01
      3  -0.143307D+02 -0.143362D+02  0.109055D+01  0.696626D+01  0.379075D+01
               396           397           398           399           400 
      1   0.107394D+01 -0.123371D+01  0.777506D+00  0.334188D-02  0.919570D+00
      2  -0.584204D+01  0.817501D+01 -0.398255D+01  0.646320D+01 -0.843010D+01
      3  -0.194090D+01  0.622648D+01 -0.722122D+01  0.512077D+01 -0.107888D+02
               401           402           403           404           405 
      1  -0.116800D+01 -0.799841D+00 -0.215154D+00  0.227357D+01  0.259334D-01
      2   0.609357D+01 -0.112507D+02  0.774340D+01 -0.699819D+01  0.151624D+02
      3   0.154088D+02 -0.773779D+01  0.930117D+01 -0.884182D+01  0.777047D+01
               406           407           408           409           410 
      1   0.644167D+01 -0.287046D+01  0.830752D+00 -0.434955D+00  0.889460D+01
      2  -0.451665D+01  0.175031D+01 -0.145686D+01 -0.146764D+01 -0.100777D+02
      3  -0.719998D+01  0.301934D+01 -0.524638D+01  0.445647D+00 -0.224487D+02
               411           412           413           414           415 
      1  -0.608289D+01  0.990782D+00 -0.498469D+01  0.594105D+01 -0.207058D+01
      2   0.575102D+01  0.131375D+01  0.914201D+01 -0.903529D+01  0.468715D+01
      3   0.672170D+01 -0.901528D+01  0.101621D+02 -0.105910D+02 -0.159818D+01
               416           417           418           419           420 
      1  -0.889593D+00 -0.254220D+01  0.336497D+00  0.125150D+01 -0.144979D+01
      2   0.381598D+01  0.596310D+01  0.197094D+01  0.393441D+01  0.609495D+01
      3  -0.445158D+01 -0.318521D+01 -0.428744D+01 -0.873285D+01 -0.544584D+01
               421           422           423 
      1  -0.182006D+01  0.370048D-01 -0.553471D+01
      2   0.560942D+01  0.948458D+01  0.197900D+02
      3  -0.328992D+01 -0.767323D+01 -0.939602D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.368525D+02  0.831329D+01  0.103765D+02  0.164452D+02  0.159372D+02
      2   0.204506D+02 -0.595609D+01 -0.763440D+00 -0.154064D+02 -0.365146D+02
      3   0.164019D+02 -0.235721D+01 -0.961302D+01 -0.103884D+01  0.205775D+02
      4   0.561997D+00 -0.327723D+01  0.150446D+01 -0.849887D+01 -0.440884D+02
      5   0.699609D+01 -0.137673D+01  0.868563D+01  0.678274D+00  0.297023D+01
      6  -0.170673D+01  0.295278D+00  0.403070D+01  0.347865D+01  0.796351D+01
                 6             7             8             9            10 
      1   0.190709D+01  0.116091D+02  0.329419D+01  0.141215D+02  0.264260D+02
      2   0.495648D+01 -0.623476D+01 -0.166591D+01  0.519519D+01 -0.226881D+02
      3  -0.686357D+01 -0.537430D+01 -0.162828D+01 -0.193167D+02 -0.373798D+01
      4   0.576329D+01  0.941530D+01  0.343345D+01  0.343739D+01  0.313390D+02
      5   0.413342D+01  0.236872D+01 -0.659928D+00  0.184639D+02 -0.203474D+01
      6   0.156988D+01 -0.111697D+01 -0.224084D+00  0.998052D+01 -0.447392D+01
                11            12            13            14            15 
      1   0.118497D+02 -0.432239D+01  0.521546D+02  0.884898D+01 -0.114542D+02
      2   0.105591D+02  0.239848D+01 -0.150451D+02 -0.140479D+02  0.428299D+01
      3  -0.224088D+02  0.192391D+01 -0.371094D+02  0.519892D+01  0.717123D+01
      4   0.137895D+02 -0.825237D+01  0.199504D+02  0.151256D+02 -0.154795D+01
      5  -0.545477D+01  0.932301D+01 -0.282716D+01 -0.295675D+01  0.314599D+01
      6   0.589134D+01 -0.104792D+01 -0.103979D+01 -0.256286D+01  0.622555D+01
                16            17            18            19            20 
      1  -0.241641D+02  0.435555D+01  0.816683D+01  0.658579D+02 -0.174320D+02
      2   0.518726D+01 -0.995484D+01 -0.331014D+01 -0.369833D+02  0.172328D+02
      3   0.189769D+02  0.559929D+01 -0.485669D+01 -0.288746D+02  0.199277D+00
      4  -0.250027D+01 -0.966018D+01  0.997126D+01 -0.292400D+02  0.118772D+02
      5   0.183059D+02  0.733091D+01 -0.991784D+01  0.435534D+02 -0.922685D+01
      6   0.675737D+01  0.238473D+01 -0.389645D+01 -0.105052D+02  0.595243D+01
                21            22            23            24            25 
      1   0.173085D+02 -0.541980D+02  0.422247D+01  0.117541D+02  0.260254D+02
      2  -0.194351D+02  0.180009D+02  0.103034D+02 -0.777316D+01 -0.574840D+01
      3   0.212663D+01  0.361970D+02 -0.145259D+02 -0.398091D+01 -0.202770D+02
      4  -0.849426D+01  0.384485D+01 -0.135588D+02  0.643279D+01  0.156414D+02
      5   0.151633D+02  0.701971D+01  0.814199D+01 -0.842326D+00 -0.412642D+00
      6  -0.591085D+01  0.775043D+01 -0.242882D+01 -0.149343D+01  0.166942D+01
                26            27            28            29            30 
      1   0.938465D+01 -0.446006D+01 -0.439096D+02  0.561071D+01 -0.219994D+02
      2  -0.898184D+01 -0.108293D+01  0.322635D+02 -0.962163D+01  0.169782D+02
      3  -0.402815D+00  0.554299D+01  0.116461D+02  0.401092D+01  0.502116D+01
      4   0.201316D+00 -0.296155D+01  0.989295D+01  0.281423D+01  0.115520D+02
      5   0.165569D+00  0.293498D+01 -0.436515D+02  0.114448D+02 -0.353842D+02
      6   0.605002D+00  0.102706D+02  0.107813D+02 -0.228455D+01  0.791685D+01
                31            32            33            34            35 
      1   0.322366D+01  0.909587D+01  0.351468D+01 -0.360125D+02  0.139793D+02
      2   0.541896D+01 -0.220988D+02 -0.480361D+00  0.285580D+02 -0.101844D+02
      3  -0.864263D+01  0.130029D+02 -0.303431D+01  0.745455D+01 -0.379486D+01
      4  -0.110833D+02  0.375051D+02 -0.440632D+01  0.178886D+02  0.523867D+01
      5   0.789302D+01 -0.674227D+01 -0.621376D+01 -0.581385D+02 -0.679354D+00
      6  -0.485050D+01  0.747911D+01  0.882287D+00  0.124362D+02 -0.638286D+00
                36            37            38            39            40 
      1  -0.374102D+02 -0.760401D+02  0.481007D+02  0.128111D+02  0.535360D+02
      2   0.274669D+02  0.339823D+02 -0.219298D+02 -0.351195D+01 -0.260028D+02
      3   0.994326D+01  0.420578D+02 -0.261709D+02 -0.929915D+01 -0.275332D+02
      4   0.288347D+00  0.537850D+02 -0.125357D+02 -0.471010D+01 -0.178767D+02
      5  -0.232221D+02  0.137806D+02 -0.513788D+01  0.235304D+02 -0.320305D+01
      6   0.372366D+01 -0.790659D+01  0.194847D+01 -0.444111D+01  0.108137D+01
                41            42            43            44            45 
      1  -0.122790D+02  0.107699D+01  0.617809D+01  0.211997D+01  0.331606D+02
      2   0.792846D+01  0.898549D+00  0.265131D+00  0.164795D+01 -0.163107D+02
      3   0.435053D+01 -0.197554D+01 -0.644322D+01 -0.376792D+01 -0.168499D+02
      4  -0.142231D+02  0.676382D+01 -0.169998D+01  0.605847D+01  0.159072D+02
      5   0.707206D+01  0.164341D+02  0.323714D+02  0.167951D+02  0.496397D+01
      6   0.375128D+00 -0.333482D+01 -0.290875D+01 -0.262549D+01 -0.479544D+01
                46            47            48            49            50 
      1   0.171662D+02 -0.307563D+02 -0.433761D+00 -0.483282D+02 -0.102769D+02
      2  -0.736120D+01  0.174701D+02 -0.597457D+01  0.265145D+02  0.100317D+02
      3  -0.980502D+01  0.132861D+02  0.640834D+01  0.218137D+02  0.245287D+00
      4  -0.335834D+02 -0.116997D+02  0.345527D+01 -0.178410D+02  0.157287D+02
      5   0.690745D+01  0.583164D+01 -0.400094D+02  0.574364D+01 -0.339159D+01
      6   0.607429D+01  0.405746D-02 -0.102621D+02  0.176451D+01 -0.334036D+01
                51            52            53            54            55 
      1   0.113267D+01  0.119847D+02 -0.147003D+00 -0.534067D+02 -0.433893D+01
      2  -0.451092D+01 -0.150051D+02 -0.446865D+01  0.279946D+02 -0.939215D+01
      3   0.337825D+01  0.302047D+01  0.461565D+01  0.254121D+02  0.137311D+02
      4  -0.346112D+01  0.306732D+01 -0.417141D+01 -0.405304D+02  0.156910D+02
      5  -0.255967D+02 -0.696994D+02 -0.347644D+02  0.130858D+02  0.284526D+01
      6  -0.770130D+01 -0.192017D+02 -0.765417D+01  0.408732D+01 -0.395562D+01
                56            57            58            59            60 
      1   0.914502D+01 -0.230538D+02 -0.434040D+01 -0.139872D+01  0.541801D+01
      2  -0.977716D+01 -0.105883D+02 -0.340174D+01  0.822722D+01  0.108363D+01
      3   0.632140D+00  0.336420D+02  0.774215D+01 -0.682850D+01 -0.650165D+01
      4  -0.306496D+01 -0.509223D+00  0.562680D+01  0.369405D+01 -0.215171D+01
      5  -0.176704D-01  0.245607D+02 -0.377963D+00 -0.122383D+01  0.785271D+01
      6   0.205320D+01  0.707433D+01 -0.414442D+00  0.354621D+01 -0.937522D+01
                61            62            63            64            65 
      1   0.215971D+01 -0.157259D+02 -0.347478D+01 -0.186493D+01 -0.626304D+01
      2  -0.220608D+02  0.980853D+01 -0.286366D+02  0.611768D+01 -0.360706D+01
      3   0.199011D+02  0.591734D+01  0.321114D+02 -0.425275D+01  0.987010D+01
      4  -0.124479D+02  0.389064D+01 -0.723473D-01  0.163205D-01  0.978162D+01
      5   0.284157D+02 -0.788411D+00  0.309113D+02  0.590041D+01 -0.285995D+01
      6  -0.552126D+01 -0.560398D+01  0.563164D+00 -0.796081D+00 -0.615874D+00
                66            67            68            69            70 
      1   0.579885D+01 -0.650985D+01  0.730089D+01 -0.264945D+02 -0.136178D+01
      2  -0.886412D+01 -0.274424D+00 -0.183142D+02 -0.439296D+01 -0.530194D+01
      3   0.306528D+01  0.678427D+01  0.110134D+02  0.308875D+02  0.666372D+01
      4  -0.321173D+01  0.427985D+01  0.928111D+00  0.107011D+01 -0.451824D+01
      5   0.417928D+01 -0.916918D+00  0.972515D+00  0.179676D+02  0.224761D+01
      6   0.144545D+02  0.299892D+01  0.552564D+01  0.159171D+02  0.400230D+01
                71            72            73            74            75 
      1  -0.228929D+02 -0.217198D+02 -0.377958D+01 -0.401265D+01 -0.406278D+01
      2   0.119088D+02 -0.161018D+02  0.125334D+02 -0.762897D+01  0.190149D+01
      3   0.109841D+02  0.378216D+02 -0.875380D+01  0.116416D+02  0.216129D+01
      4   0.889101D+01  0.853782D+01 -0.916251D+01 -0.475962D+00  0.163099D+02
      5   0.745752D+01  0.226609D+02  0.567890D+01  0.131702D+02 -0.794032D+00
      6   0.155823D+02  0.202742D+02  0.122015D+02  0.637865D+01  0.336060D+01
                76            77            78            79            80 
      1   0.127930D+02 -0.373182D+02 -0.921861D+01  0.386412D+00  0.459372D+01
      2  -0.591977D+01  0.546567D+02 -0.838011D+00 -0.192888D+00  0.500661D+00
      3  -0.687320D+01 -0.173384D+02  0.100566D+02 -0.193524D+00 -0.509438D+01
      4   0.657154D+01  0.246027D+02  0.450468D+01  0.781701D+01  0.761381D+01
      5   0.183045D+01  0.571842D+01  0.465977D+01 -0.219742D+01  0.224683D+01
      6   0.248475D+01  0.236770D+02  0.108955D+02  0.646864D+01  0.913614D+01
                81            82            83            84            85 
      1  -0.863936D+01  0.880444D+01  0.186043D+02 -0.948212D-01  0.125834D+02
      2   0.110751D+02 -0.144726D+02 -0.418839D+02 -0.647947D+01 -0.248717D+02
      3  -0.243576D+01  0.566818D+01  0.232796D+02  0.657429D+01  0.122882D+02
      4  -0.196224D+01 -0.960707D+00 -0.228322D+02 -0.133354D+02 -0.147528D+02
      5   0.497470D+01  0.712113D+00 -0.788735D+01 -0.465683D+01 -0.361061D+01
      6  -0.282895D+00 -0.165330D+02 -0.855928D+01  0.149160D+02 -0.310639D+01
                86            87            88            89            90 
      1   0.311069D+02  0.620602D+01 -0.189194D+01 -0.586307D+01  0.424088D+01
      2  -0.607762D+02 -0.120634D+02 -0.164869D+01  0.608758D+01 -0.454786D+01
      3   0.296693D+02  0.585733D+01  0.354063D+01 -0.224515D+00  0.306974D+00
      4  -0.385819D+02 -0.203141D+01 -0.914262D+01 -0.144843D+01  0.101282D+02
      5  -0.216246D+01 -0.258014D+00 -0.417406D+01  0.175815D+01  0.302750D+01
      6  -0.242810D+02 -0.481943D+01  0.173161D+02 -0.107227D+02 -0.276450D+00
                91            92            93            94            95 
      1   0.831198D+01 -0.195106D+02  0.120054D+01 -0.129406D+02  0.332374D+02
      2  -0.131750D+02  0.416653D+02 -0.786942D+01  0.234121D+02 -0.607385D+02
      3   0.486305D+01 -0.221547D+02  0.666888D+01 -0.104715D+02  0.275011D+02
      4  -0.750321D+00 -0.207828D+02  0.131780D+02 -0.126458D+02  0.363201D+02
      5   0.139311D+01  0.774505D+01 -0.516633D+01  0.333326D+01 -0.267031D+01
      6   0.163329D+02 -0.930581D+01 -0.143191D+02 -0.403615D+01  0.256040D+02
                96            97            98            99           100 
      1  -0.719758D+01  0.196694D+00  0.514834D+01  0.393795D+01 -0.993110D+01
      2   0.133472D+02 -0.399401D+01 -0.504032D+01 -0.445276D+01  0.138225D+02
      3  -0.614961D+01  0.379731D+01 -0.108023D+00  0.514811D+00 -0.389137D+01
      4  -0.312742D+01  0.849082D+01 -0.288102D+01 -0.999069D+01  0.143298D+02
      5   0.496330D+00 -0.458090D+01 -0.170252D+01  0.355448D+01  0.340106D+01
      6  -0.549403D+01 -0.167017D+02 -0.108766D+02  0.362982D+00 -0.119375D+02
               101           102           103           104           105 
      1   0.538350D+01 -0.304514D+01 -0.891114D+01 -0.391540D+02  0.918425D+01
      2   0.669566D+01  0.268858D+01  0.492757D+01  0.537876D+02  0.167272D+00
      3  -0.120792D+02  0.356560D+00  0.398357D+01 -0.146336D+02 -0.935152D+01
      4  -0.257429D+01 -0.150936D+02  0.396790D+01 -0.196384D+02  0.423229D+01
      5  -0.119235D+02  0.513898D+00 -0.920965D+00  0.487548D+01 -0.324066D+01
      6   0.508975D+01 -0.371653D+01  0.873653D+00 -0.241243D+02  0.986951D+01
               106           107           108           109           110 
      1  -0.229394D+01 -0.276290D+01 -0.955901D+01  0.196681D+02 -0.131108D+02
      2   0.838598D+00 -0.112167D+01  0.887526D+01 -0.141072D+02 -0.122164D+02
      3   0.145534D+01  0.388457D+01  0.683759D+00 -0.556091D+01  0.253272D+02
      4  -0.672842D+01  0.676511D+01  0.147026D+01 -0.359740D+02  0.188525D+02
      5  -0.144029D+01 -0.231605D+01  0.414133D+01  0.442687D+01  0.455448D+01
      6  -0.656375D+01  0.971342D+01 -0.159176D+01  0.716928D+01  0.689352D+01
               111           112           113           114           115 
      1  -0.284688D+01 -0.482689D+02  0.139159D+02  0.757943D+01 -0.331011D+02
      2  -0.157982D+00  0.779032D+01 -0.146524D+02 -0.863899D+00  0.475594D+01
      3   0.300486D+01  0.404785D+02  0.736483D+00 -0.671553D+01  0.283452D+02
      4   0.790045D+01  0.263823D+02 -0.185171D+02 -0.231926D+01  0.962821D+01
      5   0.448853D+01 -0.192940D+01 -0.279099D+01 -0.125772D+01  0.151189D+02
      6   0.185116D+01 -0.132030D+01  0.279921D+01  0.602763D+01 -0.264727D+01
               116           117           118           119           120 
      1  -0.325168D+01  0.589557D+01  0.691573D+02  0.156649D+02  0.145251D+02
      2   0.112237D+02  0.106884D+01 -0.397976D+02 -0.144143D+02 -0.184264D+02
      3  -0.797205D+01 -0.696441D+01 -0.293597D+02 -0.125062D+01  0.390132D+01
      4  -0.132394D+02 -0.109925D+02  0.274154D+02  0.130387D+02  0.666603D+01
      5  -0.684642D+01 -0.549815D+01  0.379522D+02  0.711343D+01  0.181496D+02
      6   0.443770D+01  0.170142D+01  0.694915D+01  0.685263D+01  0.645433D+01
               121           122           123           124           125 
      1   0.432497D+02  0.566297D+01 -0.120014D+02  0.272610D+02 -0.104810D+02
      2  -0.838561D+01  0.719333D+01  0.651685D+01 -0.548788D+01  0.868989D+01
      3  -0.348641D+02 -0.128563D+02  0.548457D+01 -0.217732D+02  0.179116D+01
      4   0.344512D+01  0.134574D+02  0.607176D+01 -0.176400D+02  0.383394D+01
      5  -0.897536D+01  0.668172D+01  0.576208D+00  0.422728D+01  0.210246D+01
      6   0.832853D+01  0.859499D+00 -0.306981D+00 -0.324643D+01  0.992279D-01
               126           127           128           129           130 
      1  -0.423201D+01 -0.352864D+01 -0.113495D+02 -0.270001D+02  0.245156D+01
      2  -0.280849D+01 -0.492191D+01  0.111805D+02 -0.101212D+02  0.497185D+01
      3   0.704050D+01  0.845055D+01  0.169014D+00  0.371213D+02 -0.742341D+01
      4   0.557831D+01 -0.216457D+02 -0.192987D+01 -0.430704D+00  0.438406D+01
      5   0.632041D+01  0.705530D+00 -0.857356D+00  0.194881D+02  0.105911D+01
      6  -0.629663D+01  0.260728D+01  0.969809D+00 -0.762162D+01  0.156294D+00
               131           132           133           134           135 
      1  -0.192400D+01 -0.388972D+01  0.710030D+01  0.161876D+02 -0.567391D+01
      2   0.818423D+01 -0.123844D+01 -0.261517D+02 -0.100861D+02 -0.297930D+02
      3  -0.626023D+01  0.512815D+01  0.190514D+02 -0.610151D+01  0.354669D+02
      4  -0.218099D+01 -0.127396D+01  0.112533D+02  0.256847D+01 -0.999826D+00
      5  -0.750662D+00 -0.868346D+01  0.274087D+02  0.365578D-01  0.338023D+02
      6  -0.423307D+01 -0.937830D+01  0.482763D+01 -0.510534D+01 -0.159308D+01
               136           137           138           139           140 
      1  -0.295710D+01  0.580197D+01  0.805516D+01  0.449281D+01  0.959492D+01
      2   0.611411D+01  0.158160D+01 -0.878917D+01 -0.143345D+01 -0.185574D+02
      3  -0.315701D+01 -0.738357D+01  0.734007D+00 -0.305935D+01  0.896250D+01
      4   0.179176D+01  0.100087D+02  0.358744D+01  0.788728D+01 -0.242632D+01
      5   0.576158D+01  0.274173D+01  0.307111D+01  0.474110D+00  0.114668D+01
      6   0.548974D+00 -0.132302D+01 -0.120105D+02  0.368057D+01 -0.439764D+01
               141           142           143           144           145 
      1   0.276436D+02 -0.827757D+00  0.232478D+02 -0.213411D+02 -0.210985D+02
      2   0.614279D+01 -0.535663D+01 -0.120956D+02 -0.148012D+02  0.693906D+00
      3  -0.337864D+02  0.618438D+01 -0.111522D+02  0.361424D+02  0.204045D+02
      4   0.293421D+00  0.640452D+01  0.743947D+01 -0.612019D+01  0.240236D+02
      5  -0.145912D+02 -0.219846D+00 -0.608841D+01  0.207149D+02  0.144539D+01
      6   0.169307D+02 -0.314349D+01  0.152948D+02 -0.191004D+02 -0.525853D+00
               146           147           148           149           150 
      1   0.490489D+01  0.110705D+02  0.136652D+02 -0.202711D+02  0.633019D+01
      2   0.160240D+02 -0.602872D+01  0.183220D+02 -0.123895D+02 -0.361863D+01
      3  -0.209289D+02 -0.504179D+01 -0.319872D+02  0.326605D+02 -0.271156D+01
      4  -0.306843D+02  0.610925D+01 -0.577810D+02  0.489207D+02  0.697941D-01
      5   0.103622D+02  0.435097D+01  0.100526D+02 -0.166066D+01  0.444208D+01
      6  -0.641282D+01 -0.773206D+01  0.474495D+00  0.314775D+00 -0.695399D+01
               151           152           153           154           155 
      1   0.144888D+02  0.189328D+02  0.147816D+02 -0.562548D+01  0.215293D+02
      2  -0.130626D+02 -0.244871D+01 -0.765658D+01  0.456511D+01 -0.194947D+02
      3  -0.142620D+01 -0.164841D+02 -0.712503D+01  0.106037D+01 -0.203461D+01
      4   0.165728D+02 -0.110098D+02  0.741543D+01  0.286329D+02 -0.284550D+01
      5   0.176261D+01  0.937196D+01  0.479857D+01  0.292829D+02 -0.325318D+02
      6  -0.333585D+01 -0.897228D+01 -0.933331D+01 -0.102204D+02  0.307782D+01
               156           157           158           159           160 
      1   0.191179D+02  0.287620D+02  0.543571D+01 -0.393967D+02  0.177003D+02
      2  -0.956699D+01 -0.238324D+02  0.212919D+01  0.180087D+02 -0.791620D+01
      3  -0.955095D+01 -0.492959D+01 -0.756490D+01  0.213880D+02 -0.978411D+01
      4  -0.321636D+02 -0.338571D+01 -0.202139D+01  0.176021D+02 -0.395531D+02
      5  -0.212909D+02 -0.449439D+02  0.148737D+02  0.128457D+00 -0.220099D+02
      6   0.913455D+01  0.618254D+01 -0.118493D+01 -0.535856D+01  0.108005D+02
               161           162           163           164           165 
      1  -0.355279D+02 -0.141181D+02 -0.545031D+02 -0.314523D+02 -0.450964D+01
      2   0.143662D+02  0.106216D+02  0.233683D+02  0.147611D+02  0.438234D+01
      3   0.211618D+02  0.349648D+01  0.311347D+02  0.166912D+02  0.127298D+00
      4   0.169321D+02 -0.130674D+01 -0.356766D+02 -0.206752D+02  0.302901D+02
      5  -0.158100D+01  0.185413D+02 -0.368057D+01  0.297454D+02  0.663296D+00
      6  -0.422861D+01 -0.108420D+01  0.749368D+01  0.648229D+00  0.270837D+01
               166           167           168           169           170 
      1  -0.502789D+02 -0.298975D+02  0.424151D+02 -0.254506D+01  0.419658D+02
      2   0.228900D+02  0.147658D+02 -0.214477D+02  0.218533D+01 -0.224539D+02
      3   0.273889D+02  0.151316D+02 -0.209674D+02  0.359723D+00 -0.195119D+02
      4  -0.362314D+02  0.322778D+01 -0.989749D+01  0.465451D+02 -0.747371D+01
      5   0.457708D+02 -0.101496D+02  0.205414D+02 -0.102871D+02  0.191749D+02
      6  -0.284273D+01  0.439540D+01 -0.295983D+01  0.364239D+01 -0.292964D+01
               171           172           173           174           175 
      1  -0.603245D+01 -0.202587D+02  0.334237D+01  0.303813D+01 -0.374699D+01
      2   0.283470D+01  0.135806D+02  0.150369D+01 -0.126206D+01 -0.177289D+01
      3   0.319776D+01  0.667802D+01 -0.484607D+01 -0.177607D+01  0.551989D+01
      4   0.183125D+02 -0.237154D+01 -0.611691D+01 -0.196367D+02 -0.230799D+02
      5  -0.702216D+01 -0.101597D+02 -0.201374D+02 -0.215616D+02 -0.268717D+02
      6   0.470185D+01 -0.596656D+01 -0.678359D+01 -0.700560D+01 -0.884094D+01
               176           177           178           179           180 
      1  -0.530529D+01 -0.207113D+02  0.116287D+02 -0.160592D+02 -0.969616D+01
      2  -0.368854D+01  0.175454D+02  0.316807D+01  0.187748D+02  0.878129D+01
      3   0.899382D+01  0.316592D+01 -0.147968D+02 -0.271560D+01  0.914864D+00
      4  -0.256338D+02 -0.149291D+01 -0.207534D+02  0.241008D+01 -0.272118D+02
      5  -0.135984D+01 -0.191327D+02 -0.322463D+02 -0.287136D+02 -0.321909D+02
      6  -0.287756D+01 -0.734437D+01 -0.144281D+02 -0.987275D+01 -0.142027D+02
               181           182           183           184           185 
      1  -0.618198D+02  0.912874D+00 -0.146815D+02  0.177974D+01  0.138979D+02
      2   0.427107D+02 -0.566479D+00  0.300206D+02 -0.223351D+00 -0.192664D+02
      3   0.191091D+02 -0.346395D+00 -0.153391D+02 -0.155639D+01  0.536845D+01
      4   0.101894D+01 -0.156690D+02  0.395983D+00 -0.141095D+02 -0.183355D+01
      5  -0.351942D+02  0.344229D+00 -0.358120D+02 -0.461345D+00 -0.658363D+01
      6  -0.280990D-01 -0.595593D+00 -0.905711D+00 -0.889003D+01 -0.146961D-01
               186           187           188           189           190 
      1   0.150987D+00 -0.222561D+02  0.251557D+00  0.163991D+02  0.295679D+02
      2  -0.103880D+01  0.368359D+02  0.195249D+00  0.200674D+02 -0.112499D+02
      3   0.887809D+00 -0.145798D+02 -0.446805D+00 -0.364665D+02 -0.183180D+02
      4  -0.418362D+01  0.162487D+01 -0.105358D+02 -0.700905D+00 -0.250228D+02
      5  -0.132606D+01 -0.245596D+02  0.181545D+00 -0.314967D+02 -0.143318D+02
      6  -0.212481D+02 -0.561468D+00 -0.851783D+01 -0.135784D-01  0.118534D+02
               191           192           193           194           195 
      1  -0.128412D+01 -0.158250D+01 -0.168571D+01 -0.494437D+02 -0.182572D+02
      2  -0.592329D+01  0.271362D+01 -0.105853D+02  0.790563D+02  0.164750D+02
      3   0.720740D+01 -0.113112D+01  0.122710D+02 -0.296126D+02  0.178216D+01
      4   0.277099D+02  0.117418D+02  0.265574D+02 -0.297025D+02 -0.112544D+02
      5   0.113663D+02  0.203693D+02  0.367356D+01 -0.126285D+02 -0.687019D+01
      6  -0.523656D+01 -0.810211D+01 -0.926041D+01  0.351187D+02  0.323969D+02
               196           197           198           199           200 
      1   0.495324D+00 -0.192797D+02 -0.263322D+02  0.328765D+02 -0.654485D-01
      2   0.507546D+01  0.841788D+01 -0.258567D+01 -0.158740D+02  0.713131D+01
      3  -0.557079D+01  0.108619D+02  0.289179D+02 -0.170025D+02 -0.706586D+01
      4   0.791966D+01 -0.687279D+01 -0.136630D+02  0.230840D+02  0.252557D+02
      5   0.211736D+02 -0.133617D+02 -0.191487D+02 -0.176280D+02 -0.106051D+02
      6  -0.133070D+02  0.350090D+02  0.368931D+02 -0.111343D+02 -0.617539D+01
               201           202           203           204           205 
      1  -0.160242D+01 -0.239788D+01 -0.418670D+02  0.187930D+02  0.153894D+01
      2   0.456583D+01  0.117972D+02  0.644664D+02 -0.158817D+02  0.636190D+01
      3  -0.296340D+01 -0.939931D+01 -0.225993D+02 -0.291130D+01 -0.790084D+01
      4  -0.113172D+02  0.261475D+02  0.301641D+02 -0.136217D+02 -0.779040D+01
      5   0.243293D+02 -0.426168D+01 -0.148819D+02  0.845549D+01  0.248637D+02
      6   0.873353D+01 -0.113975D+02 -0.359543D+02  0.327629D+02  0.142886D+02
               206           207           208           209           210 
      1   0.209473D+02 -0.279729D+02 -0.741627D+01  0.642735D+01  0.185363D+02
      2  -0.918432D+01 -0.885702D+01 -0.769836D+01  0.121615D+01  0.103008D+02
      3  -0.117629D+02  0.368299D+02  0.151146D+02 -0.764349D+01 -0.288372D+02
      4  -0.857649D+01  0.145499D+02 -0.357715D+01  0.169805D+01  0.311662D+01
      5   0.140847D+02 -0.253775D+02 -0.105802D+02  0.302120D+01  0.109789D+02
      6   0.331375D+02 -0.384625D+02  0.818620D+01 -0.718430D+01 -0.139177D+02
               211           212           213           214           215 
      1   0.297332D+01 -0.341212D+01 -0.613299D+00  0.968293D+01 -0.229550D+01
      2  -0.106669D+01  0.468623D+00  0.289645D+01  0.465559D+01 -0.855118D+00
      3  -0.190663D+01  0.294349D+01 -0.228315D+01 -0.143385D+02  0.315062D+01
      4   0.120879D+01 -0.188032D+01 -0.124171D+01  0.150692D+01 -0.178190D+01
      5   0.258560D+01 -0.255583D+01 -0.352857D+01  0.823393D+01 -0.262173D+01
      6  -0.399866D+01  0.439173D+01  0.494853D+01 -0.508139D+01  0.472711D+01
               216           217           218           219           220 
      1  -0.166164D+02  0.192618D+00 -0.175782D+01  0.482966D+01  0.174020D+01
      2  -0.112818D+02 -0.612121D-01 -0.906000D+00  0.366656D+01  0.298342D+01
      3   0.278982D+02 -0.131406D+00  0.266382D+01 -0.849622D+01 -0.472362D+01
      4  -0.261505D+01 -0.227496D+01  0.180053D+01 -0.171464D+01  0.517619D+01
      5  -0.114894D+02  0.107630D+01 -0.260429D+01  0.130544D+01 -0.824407D+01
      6   0.773371D+01 -0.285163D+01  0.123821D+01  0.589187D+00  0.625866D+01
               221           222           223           224           225 
      1  -0.155471D+02  0.186600D+02  0.230611D+00  0.119729D+02 -0.206283D+02
      2   0.408421D+00  0.576271D+01 -0.703227D+00  0.234128D+01 -0.636229D+01
      3   0.151386D+02 -0.244228D+02  0.472616D+00 -0.143142D+02  0.269906D+02
      4  -0.103912D+02  0.106658D+02 -0.266244D+01  0.429422D+01 -0.598160D+01
      5   0.121560D+02 -0.168868D+02  0.302178D+01 -0.722604D+01  0.107266D+02
      6  -0.222282D+02  0.251484D+02 -0.230110D+01  0.156099D+02 -0.207727D+02
               226           227           228           229           230 
      1  -0.975033D+00  0.358586D+00 -0.744322D+01 -0.111123D+02 -0.549656D+01
      2  -0.199911D+01 -0.503985D+00  0.151348D+01  0.808398D+01  0.562656D+01
      3   0.297414D+01  0.145399D+00  0.592975D+01  0.302837D+01 -0.129991D+00
      4  -0.377218D+01 -0.118471D+01 -0.397486D+00 -0.634479D+00  0.481059D+01
      5  -0.239216D+01  0.178827D+01 -0.111530D+01  0.143954D+01 -0.323660D+01
      6  -0.116927D+00  0.106868D+01 -0.321094D+01 -0.407048D+00 -0.280952D+01
               231           232           233           234           235 
      1   0.129717D+01 -0.199426D+02  0.463619D+00 -0.134814D+02  0.590261D+00
      2  -0.508826D+01  0.105833D+02 -0.163772D+00 -0.110182D+02  0.603126D+01
      3   0.379109D+01  0.935934D+01 -0.299846D+00  0.244996D+02 -0.662152D+01
      4  -0.413686D+01 -0.105141D+02 -0.656853D+01  0.390596D+01  0.879765D+01
      5  -0.311429D+01  0.116200D+02  0.593398D+01 -0.287435D+02 -0.663685D-01
      6   0.186496D+01  0.223230D+01  0.668930D+01 -0.156434D+02  0.226995D+00
               236           237           238           239           240 
      1   0.470861D+01  0.982205D+00  0.947214D+01 -0.242235D+02  0.742295D+00
      2   0.575025D+00 -0.100068D+01  0.534827D+01  0.523465D+02 -0.449270D+01
      3  -0.528363D+01  0.184793D-01 -0.148204D+02 -0.281231D+02  0.375041D+01
      4   0.124161D+02 -0.454694D+00  0.235375D+02  0.583021D+02 -0.848019D+01
      5  -0.805487D+00 -0.422942D+00 -0.604403D+01 -0.493494D+01  0.487395D+01
      6  -0.119859D+01 -0.325737D+00 -0.456004D+01 -0.122219D+02  0.682938D+01
               241           242           243           244           245 
      1   0.137474D+01  0.220676D+00 -0.526216D+01  0.547990D+02  0.185084D+02
      2  -0.748845D+00  0.175650D+01  0.382339D+01 -0.323489D+02 -0.952521D+01
      3  -0.625893D+00 -0.197718D+01  0.143877D+01 -0.224501D+02 -0.898323D+01
      4   0.251263D+00  0.416560D+00  0.553230D+01  0.305574D+02  0.175155D+02
      5   0.163018D+01  0.598253D+01 -0.219221D+01 -0.427581D+02 -0.129203D+02
      6   0.134367D+01  0.753208D+01 -0.223803D+01 -0.989018D+01 -0.479645D+01
               246           247           248           249           250 
      1  -0.282940D+02  0.189885D+02  0.109817D+02 -0.622547D+01 -0.455776D+02
      2   0.190941D+02 -0.810866D+01 -0.490193D+01  0.292355D+01  0.327474D+02
      3   0.919989D+01 -0.108799D+02 -0.607974D+01  0.330192D+01  0.128302D+02
      4  -0.150617D+02  0.243503D+02  0.152421D+02 -0.158602D+02 -0.264889D+02
      5   0.325575D+02 -0.147339D+02 -0.152884D+02  0.150102D+02  0.576883D+02
      6   0.749145D+01 -0.773545D+01 -0.671690D+01  0.895302D+01  0.145520D+02
               251           252           253           254           255 
      1  -0.107052D+02  0.310300D+02  0.439876D+02  0.179155D+02  0.177383D+02
      2   0.726459D+01 -0.278555D+02 -0.198756D+02 -0.697937D+01 -0.793802D+01
      3   0.344062D+01 -0.317449D+01 -0.241120D+02 -0.109362D+02 -0.980027D+01
      4  -0.201592D+02  0.269074D+02  0.271605D+02  0.171783D+02  0.956898D+01
      5   0.237104D+02 -0.536226D+02  0.202500D+02  0.682844D+01  0.183581D+02
      6   0.101612D+02 -0.148504D+02  0.494055D+01  0.210425D+01  0.449762D+01
               256           257           258           259           260 
      1   0.230854D+02  0.123770D+02  0.454946D+01  0.406952D+02  0.122355D+02
      2  -0.780524D+01 -0.137059D+01  0.949516D+00 -0.179994D+02 -0.261721D+01
      3  -0.152802D+02 -0.110064D+02 -0.549897D+01 -0.226958D+02 -0.961825D+01
      4   0.246156D+02  0.186916D+02  0.129764D+02  0.240974D+02  0.223265D+02
      5   0.753903D+01  0.117029D+02  0.115902D+02  0.331471D+02  0.184396D+02
      6   0.381850D+01  0.503611D+01  0.587364D+01  0.983182D+01  0.634649D+01
               261           262           263           264           265 
      1   0.240229D+02 -0.164927D+02 -0.115958D+02 -0.950609D+01 -0.159977D+02
      2  -0.118575D+02  0.873696D+01  0.497905D+01  0.296476D+01  0.831778D+01
      3  -0.121655D+02  0.775574D+01  0.661677D+01  0.654132D+01  0.767992D+01
      4   0.217363D+02 -0.769544D+01 -0.259748D+01 -0.160983D+00  0.411151D+01
      5   0.309359D+02 -0.526432D+01 -0.395764D+00 -0.892533D+01  0.229955D+01
      6   0.897662D+01  0.416354D+01  0.106839D+01  0.299956D+01  0.145560D+01
               266           267           268           269           270 
      1  -0.404900D+01 -0.215327D+01 -0.154240D+02 -0.690129D+01 -0.147283D+02
      2   0.225996D+01  0.122677D+01  0.679437D+01  0.164244D+01 -0.188823D+01
      3   0.178904D+01  0.926502D+00  0.862967D+01  0.525885D+01  0.166166D+02
      4  -0.596794D+01 -0.727867D+01  0.685599D+00 -0.128706D+02 -0.110521D+02
      5  -0.713804D+01 -0.954263D+01  0.836271D+00 -0.121322D+02 -0.284960D+02
      6   0.437383D+01  0.665907D+01  0.767615D+00  0.734460D+01  0.103806D+02
               271           272           273           274           275 
      1   0.141271D+03 -0.417397D+02 -0.151769D+02 -0.396644D+02  0.259525D+02
      2  -0.683339D+02  0.180071D+02  0.842607D+01  0.148133D+02 -0.844526D+01
      3  -0.729366D+02  0.237326D+02  0.675082D+01  0.248511D+02 -0.175072D+02
      4  -0.571045D+02  0.314414D+02  0.569165D+01  0.380320D+02 -0.229743D+02
      5  -0.223329D+02  0.605779D+01  0.120852D+02  0.746002D+01 -0.462634D+01
      6   0.717108D+01 -0.382709D+01 -0.266659D+01 -0.447084D+01  0.277858D+01
               276           277           278           279           280 
      1   0.420196D+01 -0.446117D+01  0.114955D+01  0.111595D+02  0.675334D+02
      2  -0.209885D+01  0.327792D+01 -0.149555D+01 -0.642774D+01 -0.436650D+02
      3  -0.210311D+01  0.118326D+01  0.345999D+00 -0.473176D+01 -0.238684D+02
      4  -0.428677D+01  0.276950D+01 -0.148745D+01 -0.853751D+01 -0.183753D+02
      5  -0.654115D+01  0.166507D+02 -0.861325D+01 -0.429811D+01  0.517482D+02
      6   0.283430D+01 -0.378681D+01  0.293043D+01  0.182908D+01 -0.957421D+01
               281           282           283           284           285 
      1  -0.813448D+01  0.279033D+02  0.618032D+01  0.477893D+01 -0.526526D-01
      2   0.484881D+01 -0.207265D+02 -0.671514D+01 -0.103341D+01 -0.281042D+01
      3   0.328567D+01 -0.717674D+01  0.534821D+00 -0.374552D+01  0.286307D+01
      4   0.989618D+01 -0.106433D+02  0.126384D+02 -0.780216D+01  0.776661D+01
      5  -0.994798D+01  0.385435D+02 -0.558408D-01  0.895653D+01  0.277986D+01
      6   0.421207D+01 -0.797688D+01  0.436132D+01 -0.231542D+01  0.418711D+01
               286           287           288           289           290 
      1   0.465079D+02 -0.108377D+02  0.249641D+02 -0.200239D+01 -0.912739D+01
      2  -0.358220D+02  0.704816D+01 -0.280035D+02  0.283394D+01  0.641313D+01
      3  -0.106859D+02  0.378953D+01  0.303944D+01 -0.831550D+00  0.271426D+01
      4  -0.219469D+02  0.105052D+02 -0.125836D+02 -0.629603D+01  0.860773D+00
      5   0.578023D+02 -0.125082D+02  0.532772D+02  0.300288D+01  0.538103D-01
      6  -0.135443D+02  0.709089D+01 -0.115908D+02  0.151234D+00 -0.265778D+01
               291           292           293           294           295 
      1   0.293546D+01 -0.152751D+02 -0.148027D+02  0.202691D+01  0.127627D+01
      2  -0.196347D+01  0.115259D+00  0.349639D+02 -0.311600D+01 -0.260296D+01
      3  -0.971987D+00  0.151599D+02 -0.201612D+02  0.108909D+01  0.132669D+01
      4   0.402231D+00  0.208771D+02 -0.538775D+02  0.715029D+01 -0.223109D+01
      5   0.335926D+01 -0.401661D+01  0.949081D+01 -0.739339D+01  0.104482D+02
      6  -0.322247D-01  0.386059D+01 -0.120393D+02  0.650400D+01 -0.208175D+01
               296           297           298           299           300 
      1   0.600082D-01  0.294180D+01 -0.514030D+01 -0.227644D+02 -0.453851D+01
      2   0.153690D+01 -0.795726D+00  0.179168D+02  0.476387D+02  0.701468D+01
      3  -0.159691D+01 -0.214607D+01 -0.127765D+02 -0.248743D+02 -0.247616D+01
      4  -0.104193D+01 -0.541286D+01  0.222850D+02  0.339330D+02  0.778126D+01
      5  -0.568654D+01  0.284402D+01  0.481720D+01  0.542978D+01  0.476563D+01
      6   0.497943D+01 -0.238051D+01  0.947774D+01  0.157275D+02  0.624246D+01
               301           302           303           304           305 
      1  -0.116344D+02 -0.469525D+02 -0.831647D+01 -0.148409D+01 -0.396001D+01
      2   0.245966D+02  0.885260D+02  0.135525D+02  0.204836D+01  0.341688D+01
      3  -0.129622D+02 -0.415735D+02 -0.523607D+01 -0.564267D+00  0.543128D+00
      4   0.203364D+02  0.390219D+02  0.638539D+01  0.391362D+01  0.447497D+01
      5   0.321776D+01  0.544076D+01  0.227409D+01  0.415596D+01  0.367090D+01
      6   0.774786D+01  0.259441D+02  0.121005D+02  0.393634D+01  0.164911D+02
               306           307           308           309           310 
      1  -0.710148D+01 -0.369807D+00  0.768871D+01  0.487174D+01  0.325184D+01
      2   0.961211D+01  0.242233D+01 -0.846550D+01 -0.335384D+01 -0.374005D+01
      3  -0.251063D+01 -0.205252D+01  0.776790D+00 -0.151789D+01  0.488209D+00
      4   0.524293D+01 -0.149280D+02  0.111343D+02  0.943378D+01  0.643315D+01
      5   0.277502D+01 -0.767928D+01  0.480843D+01  0.581003D+01  0.161844D+01
      6   0.666577D+01  0.133672D+02 -0.106628D+02 -0.153155D+02 -0.483413D+01
               311           312           313           314           315 
      1  -0.807679D+01 -0.578215D+01  0.448996D+01 -0.111696D+02 -0.102613D+02
      2   0.120778D+02  0.830639D+01 -0.176926D+01  0.113280D+02  0.312287D+01
      3  -0.400096D+01 -0.252424D+01 -0.272070D+01 -0.158347D+00  0.713839D+01
      4  -0.482874D+01 -0.311559D+01  0.933167D+01 -0.485700D+01 -0.855104D+01
      5  -0.246157D+01 -0.195529D+01  0.589378D+01 -0.342498D+01 -0.579506D+01
      6   0.120011D+02  0.931553D+01 -0.121991D+02  0.158736D+02  0.211974D+02
               316           317           318           319           320 
      1  -0.169844D+00 -0.681146D+01  0.478163D+01 -0.256957D+01 -0.740801D+01
      2   0.198113D+01  0.727991D+01 -0.272146D+01  0.304923D+01  0.109197D+02
      3  -0.181128D+01 -0.468457D+00 -0.206016D+01 -0.479654D+00 -0.351165D+01
      4   0.150833D+02  0.108703D+02 -0.996503D+01  0.596497D+01  0.453716D+01
      5  -0.826967D+01 -0.518931D+01  0.659760D+01 -0.158983D+01 -0.246498D+01
      6  -0.136022D+02 -0.105458D+02  0.158564D+02 -0.451573D+01 -0.112408D+02
               321           322           323           324           325 
      1   0.539088D+01  0.456378D+01  0.103390D+02 -0.988332D+01 -0.527088D+01
      2  -0.790546D+01 -0.168775D+01 -0.101986D+02  0.229193D+01  0.167071D+02
      3   0.251458D+01 -0.287603D+01 -0.140415D+00  0.759139D+01 -0.114362D+02
      4  -0.298616D+01 -0.929042D+01 -0.514914D+01  0.887174D+01 -0.204952D+02
      5   0.190245D+01  0.635015D+01  0.379499D+01 -0.663791D+01  0.482319D+01
      6   0.870022D+01  0.122551D+02  0.153812D+02 -0.211345D+02 -0.956161D+01
               326           327           328           329           330 
      1   0.235910D+02 -0.504601D+01  0.112258D+02 -0.482688D+02  0.909770D+01
      2  -0.470773D+02  0.761985D+01 -0.229076D+02  0.884936D+02 -0.146116D+02
      3   0.234863D+02 -0.257385D+01  0.116819D+02 -0.402248D+02  0.551387D+01
      4   0.322121D+02 -0.800483D+01  0.188829D+02 -0.364409D+02  0.660643D+01
      5  -0.562889D+01  0.478059D+01 -0.339775D+01  0.552360D+01 -0.224263D+01
      6   0.165332D+02 -0.667673D+01  0.787635D+01 -0.276608D+02  0.127108D+02
               331           332           333           334           335 
      1  -0.182644D+01  0.509495D+01 -0.758009D+01 -0.707520D+01 -0.576302D+01
      2   0.254674D+01 -0.484449D+01  0.986423D+01 -0.795737D+01 -0.848367D+00
      3  -0.720302D+00 -0.250457D+00 -0.228414D+01  0.150326D+02  0.661139D+01
      4  -0.400509D+01  0.507523D+01 -0.509929D+01  0.399265D+01  0.201716D+01
      5   0.407110D+01 -0.362365D+01  0.280638D+01 -0.124173D+02 -0.323815D+01
      6  -0.392193D+01  0.170244D+02 -0.739529D+01 -0.795595D+01 -0.658014D+01
               336           337           338           339           340 
      1   0.171871D+02 -0.234967D+01 -0.262164D+01 -0.215513D+00  0.900973D+01
      2   0.105793D+02  0.125423D+01  0.589603D-01 -0.322073D+01  0.518358D+01
      3  -0.277664D+02  0.109544D+01  0.256268D+01  0.343624D+01 -0.141933D+02
      4  -0.334363D+01  0.171020D+01  0.188215D+01 -0.136876D+01 -0.191386D+01
      5   0.124438D+02 -0.220506D+01 -0.275832D+01  0.291368D+01  0.897657D+01
      6   0.126262D+02 -0.389524D+01 -0.374635D+01  0.431816D+01  0.480232D+01
               341           342           343           344           345 
      1   0.148261D+01 -0.147498D+02 -0.722287D+00  0.185476D+01  0.502940D+01
      2   0.881750D+00 -0.107146D+02  0.634343D-01  0.110141D+01  0.359273D+01
      3  -0.236436D+01  0.254645D+02  0.658853D+00 -0.295617D+01 -0.862212D+01
      4  -0.180885D+01  0.269502D+01  0.255155D+01  0.183244D+01  0.203480D+01
      5   0.260848D+01 -0.121738D+02  0.139336D+01  0.311750D+01  0.183115D+01
      6   0.418193D+01 -0.629597D+01  0.346672D+01  0.114781D+01 -0.704311D+00
               346           347           348           349           350 
      1  -0.118207D+01 -0.161400D+02 -0.194654D+02  0.287026D+00 -0.122716D+02
      2  -0.306872D+01  0.682087D+00 -0.556922D+01 -0.467587D+00 -0.181119D+01
      3   0.425080D+01  0.154579D+02  0.250346D+02  0.180560D+00  0.140828D+02
      4   0.449982D+01  0.971688D+01  0.985831D+01  0.294562D+01  0.372662D+01
      5   0.770293D+01  0.111008D+02  0.159105D+02  0.282165D+01  0.686781D+01
      6   0.548624D+01  0.222796D+02  0.251594D+02  0.239937D+01  0.158878D+02
               351           352           353           354           355 
      1  -0.205977D+02  0.285932D+02 -0.132801D+02 -0.798295D+00 -0.183057D+02
      2  -0.548352D+01 -0.421769D+00 -0.797637D+01  0.170241D+01 -0.137193D+02
      3   0.260812D+02 -0.281714D+02  0.212565D+02 -0.904115D+00  0.320249D+02
      4   0.565654D+01 -0.376087D+02  0.354299D+02 -0.299769D+01  0.530476D+02
      5   0.903625D+01  0.431036D+00 -0.423999D+01  0.465152D+01  0.116459D+01
      6   0.207224D+02 -0.212957D+01  0.895112D+00 -0.952769D+00 -0.934860D+00
               356           357           358           359           360 
      1   0.500879D+01  0.293927D+01  0.876427D+01 -0.352291D+01 -0.289431D+01
      2   0.334599D+02 -0.339214D+01  0.187540D+01 -0.840133D+01  0.399975D+01
      3  -0.384686D+02  0.452867D+00 -0.106397D+02  0.119242D+02 -0.110544D+01
      4  -0.664198D+02  0.104460D+01 -0.177957D+02  0.189553D+02 -0.885503D+01
      5   0.424509D+01 -0.738003D+01  0.585635D+01 -0.944427D+01  0.494243D+01
      6  -0.102602D+01  0.630917D+01 -0.377079D+01  0.881158D+01 -0.280361D+01
               361           362           363           364           365 
      1  -0.138122D+02 -0.759158D+01 -0.832783D+01 -0.716714D+01 -0.694896D+01
      2   0.873942D+01  0.386034D+01  0.430992D+01  0.115082D+01  0.957659D+01
      3   0.507278D+01  0.373124D+01  0.401791D+01  0.601632D+01 -0.262762D+01
      4   0.193598D+01  0.231841D+01 -0.130194D+01  0.100743D+02 -0.123509D+02
      5  -0.253983D+00 -0.284360D+01 -0.189556D+01  0.715783D+00 -0.525176D+01
      6   0.267749D+01  0.441590D+01  0.557913D+01  0.812052D+00  0.857285D+01
               366           367           368           369           370 
      1  -0.727182D+01 -0.137858D+02 -0.137711D+02 -0.161319D+02  0.699381D+02
      2   0.576731D+01  0.898040D+01  0.683338D+01  0.236985D+01 -0.407257D+02
      3   0.150452D+01  0.480538D+01  0.693777D+01  0.137620D+02 -0.292125D+02
      4  -0.561807D+01  0.103372D+01 -0.620276D+01 -0.885215D+01 -0.359627D+02
      5  -0.505736D+01  0.508311D+01 -0.101072D+02 -0.172095D+02 -0.509819D+02
      6   0.876932D+01  0.218481D+00  0.132548D+02  0.184421D+02  0.118635D+02
               371           372           373           374           375 
      1  -0.204017D+02 -0.305844D+02 -0.276753D+02  0.128681D+02  0.140712D+02
      2   0.111673D+02  0.213634D+02  0.147070D+02 -0.528919D+01 -0.897535D+01
      3   0.923437D+01  0.922102D+01  0.129684D+02 -0.757893D+01 -0.509583D+01
      4   0.201311D+02  0.211523D+02  0.290628D+02 -0.239173D+02 -0.200299D+02
      5   0.201231D+02  0.364079D+02  0.272561D+02 -0.194885D+02 -0.195471D+02
      6  -0.631835D+01 -0.799636D+01 -0.106306D+02  0.893523D+01  0.101438D+02
               376           377           378           379           380 
      1  -0.273010D+02  0.994921D+01  0.212726D+02 -0.174006D+02  0.564651D+01
      2   0.218938D+02 -0.746225D+01 -0.202039D+02  0.768784D+01  0.155380D+00
      3   0.540718D+01 -0.248696D+01 -0.106871D+01  0.971272D+01 -0.580189D+01
      4   0.206767D+02 -0.136548D+02 -0.181116D+02  0.534864D+01 -0.397139D+01
      5   0.425006D+02 -0.166528D+02 -0.396897D+02 -0.413145D+01  0.276738D+01
      6  -0.104272D+02  0.801169D+01  0.101823D+02 -0.260813D+01  0.869390D+00
               381           382           383           384           385 
      1  -0.802937D+01  0.155602D+02 -0.864632D+01  0.999862D+01 -0.123742D+02
      2   0.101901D+01 -0.761714D+01  0.177178D+01  0.229547D+00  0.576856D+01
      3   0.701036D+01 -0.794302D+01  0.687454D+01 -0.102282D+02  0.660569D+01
      4   0.390482D+01 -0.182008D+01  0.139851D+02 -0.999621D+01  0.417465D+01
      5  -0.125471D+01  0.235284D+01 -0.872542D+01  0.154708D+02  0.622560D+01
      6  -0.944525D+00  0.103660D+01 -0.646018D+01  0.527609D+01 -0.209656D+01
               386           387           388           389           390 
      1   0.824169D+01 -0.798215D+01  0.120812D+03  0.385093D+02 -0.127910D+02
      2   0.423487D+00 -0.743882D+01 -0.574239D+02 -0.166169D+02  0.641827D+01
      3  -0.866518D+01  0.154210D+02 -0.633885D+02 -0.218924D+02  0.637276D+01
      4  -0.859562D+01  0.783332D+01  0.473711D+02  0.270201D+02 -0.785412D+01
      5   0.789042D+01 -0.236849D+02 -0.147685D+02 -0.709841D+01  0.126262D+02
      6   0.551849D+01 -0.440722D+01 -0.476607D+01 -0.159660D+01  0.157273D+01
               391           392           393           394           395 
      1   0.616965D+02  0.321119D+02 -0.988191D+01 -0.309966D+02 -0.134473D+02
      2  -0.259192D+02 -0.111583D+02  0.443702D+01  0.152666D+02  0.642865D+01
      3  -0.357773D+02 -0.209536D+02  0.544489D+01  0.157300D+02  0.701865D+01
      4   0.444486D+02  0.313902D+02 -0.426911D+01 -0.168251D+02 -0.737518D+01
      5  -0.117383D+02 -0.381088D+01  0.628193D+01  0.225277D+02  0.657354D+01
      6  -0.292996D+01 -0.264618D+01  0.295214D+01  0.409802D+01  0.352408D+01
               396           397           398           399           400 
      1   0.160037D+02  0.493001D+02 -0.122884D+02  0.178265D+02 -0.322575D+02
      2  -0.871904D+01 -0.257811D+02  0.611003D+01 -0.104915D+02  0.156860D+02
      3  -0.728464D+01 -0.235190D+02  0.617838D+01 -0.733499D+01  0.165715D+02
      4   0.680062D+01 -0.165362D+02  0.143747D+02 -0.103893D+02  0.304971D+02
      5  -0.101502D+02  0.231245D+02 -0.106737D+02  0.151880D+02 -0.235775D+02
      6  -0.233594D+01 -0.486504D+01  0.248613D+01 -0.280792D+01  0.614103D+01
               401           402           403           404           405 
      1   0.199246D+02 -0.169308D+02  0.351312D+02 -0.141780D+02  0.177684D+02
      2  -0.820196D+01  0.876187D+01 -0.216133D+02  0.901347D+01 -0.140274D+02
      3  -0.117226D+02  0.816896D+01 -0.135178D+02  0.516454D+01 -0.374101D+01
      4  -0.284126D+02  0.163497D+02 -0.192888D+02  0.150361D+02 -0.165714D+02
      5   0.165516D+02 -0.220082D+02  0.296728D+02 -0.166102D+02  0.326337D+02
      6  -0.645265D+01  0.628463D+01 -0.588047D+01  0.563637D+01 -0.620144D+01
               406           407           408           409           410 
      1  -0.199782D+01  0.485321D+01 -0.470134D+01  0.193414D+02 -0.478817D+01
      2   0.308118D+01 -0.310904D+01  0.307849D+01 -0.411465D+01  0.208162D+02
      3  -0.108335D+01 -0.174417D+01  0.162286D+01 -0.152267D+02 -0.160281D+02
      4   0.469665D+01  0.365519D+01 -0.986575D+00  0.207621D+02  0.378707D+02
      5  -0.499623D+01  0.522323D+00  0.196554D+01  0.538938D+01 -0.319253D+01
      6  -0.347627D+01 -0.116753D+01  0.994952D+00  0.286478D+01  0.330553D+00
               411           412           413           414           415 
      1   0.589086D+01 -0.240072D+02  0.358952D+01 -0.132920D+01  0.238426D+02
      2  -0.631436D+01  0.913312D+01 -0.924309D+01  0.294972D+01 -0.167605D+02
      3   0.423496D+00  0.148741D+02  0.565357D+01 -0.162052D+01 -0.708211D+01
      4  -0.357519D+01 -0.383789D+01 -0.137093D+02  0.906306D+01  0.171690D+02
      5   0.795267D+01  0.448575D+01  0.961770D+01 -0.393856D+01  0.280387D+02
      6   0.529034D+01  0.170201D+01  0.419760D+01 -0.143577D+01  0.938347D+01
               416           417           418           419           420 
      1   0.662488D+01  0.130489D+02  0.846621D+01  0.343400D+01  0.327792D+01
      2  -0.380848D+01 -0.952894D+01 -0.285624D+01 -0.956842D-01 -0.193633D+01
      3  -0.281641D+01 -0.351994D+01 -0.560997D+01 -0.333832D+01 -0.134159D+01
      4   0.132884D+02  0.150731D+02  0.204353D+02  0.220635D+02  0.172804D+02
      5   0.150844D+02  0.247990D+02  0.166327D+02  0.182662D+02  0.174163D+02
      6   0.600603D+01  0.751870D+01  0.981295D+01  0.110814D+02  0.127901D+02
               421           422           423 
      1   0.236177D+02  0.556416D+01  0.567479D+01
      2  -0.196610D+02 -0.703752D+01 -0.167471D+02
      3  -0.395678D+01  0.147336D+01  0.110723D+02
      4   0.259190D+02  0.210441D+02  0.288936D+02
      5   0.420091D+02  0.298745D+02  0.549969D+02
      6   0.169452D+02  0.166005D+02  0.221456D+02
 Leave Link  716 at Fri Jul 16 21:31:39 2021, MaxMem=  5637144576 cpu:               9.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.340007D+03 -0.481724D+00 -0.412455D+01
      2  -0.481724D+00  0.271235D+03  0.419476D+00
      3  -0.412455D+01  0.419476D+00  0.251632D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.365017D+01 -0.101799D+01 -0.534923D+02
      2  -0.370046D+00 -0.158863D+02 -0.181500D+01
      3   0.848028D+02 -0.431480D+01  0.180067D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.486723D+01 -0.947007D+02 -0.836308D+01
      2   0.867150D+01  0.187531D+03 -0.212265D+00
      3  -0.380427D+01 -0.928302D+02  0.857535D+01
      4   0.196261D+02  0.155670D+02 -0.286120D+02
      5  -0.138804D+02 -0.239463D+02 -0.885909D+01
      6  -0.334735D+01 -0.111998D+02 -0.708733D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.505532D+01  0.577457D+00  0.108293D+01  0.397323D+00 -0.203379D+01
      2   0.577457D+00 -0.690770D+00  0.118093D+00 -0.203379D+01 -0.651431D+01
      3   0.108293D+01  0.118093D+00  0.135960D+01  0.680151D+00  0.855881D+00
                 6             7             8             9            10 
      1   0.680151D+00  0.474164D+01  0.144584D+01 -0.713161D+00  0.126017D+02
      2   0.855881D+00  0.144584D+01  0.116473D+01 -0.810766D+00  0.402627D+01
      3   0.545860D+00 -0.713161D+00 -0.810766D+00  0.424439D+01 -0.947625D+00
                11            12            13            14            15 
      1   0.402627D+01 -0.947625D+00  0.113630D+02  0.419310D+01 -0.368738D+01
      2   0.546115D+01 -0.195304D+01  0.419310D+01  0.685721D+00 -0.106196D+00
      3  -0.195304D+01  0.137210D+01 -0.368738D+01 -0.106196D+00  0.254452D+01
                16            17            18            19            20 
      1  -0.708696D+01  0.232319D-01  0.335600D+01  0.148191D+02 -0.330947D+01
      2   0.232319D-01 -0.326348D+01  0.153688D+01 -0.330947D+01  0.286505D+01
      3   0.335600D+01  0.153688D+01 -0.210021D+01  0.543309D+01 -0.140127D+01
                21            22            23            24            25 
      1   0.543309D+01 -0.114791D+02  0.451584D+00  0.374054D+01  0.412580D+01
      2  -0.140127D+01  0.451584D+00 -0.101160D+01 -0.571421D-01  0.290159D+01
      3   0.308906D+01  0.374054D+01 -0.571421D-01 -0.108874D+01 -0.243607D+01
                26            27            28            29            30 
      1   0.290159D+01 -0.243607D+01 -0.807841D+01  0.114811D+01 -0.382373D+01
      2  -0.260252D+01 -0.195056D+00  0.114811D+01  0.411997D+00  0.117144D+01
      3  -0.195056D+00  0.445827D+00 -0.382373D+01  0.117144D+01 -0.334160D+01
                31            32            33            34            35 
      1   0.291750D+01 -0.182981D+01  0.638466D+00 -0.598001D+01  0.135591D+01
      2  -0.182981D+01  0.547239D+01 -0.547728D+00  0.135591D+01  0.755029D+00
      3   0.638466D+00 -0.547728D+00 -0.312014D+00 -0.540026D+01 -0.348810D+00
                36            37            38            39            40 
      1  -0.540026D+01 -0.710632D+01  0.480253D+01  0.106978D+01  0.576034D+01
      2  -0.348810D+00  0.480253D+01 -0.930665D+00 -0.202733D+00 -0.103292D+01
      3  -0.200182D+01  0.106978D+01 -0.202733D+00  0.267650D+01 -0.724757D-01
                41            42            43            44            45 
      1  -0.103292D+01 -0.724757D-01  0.189027D+00 -0.262391D-01  0.345479D+01
      2  -0.181595D+01  0.859877D+00 -0.262391D-01  0.751643D+00  0.190178D+01
      3   0.859877D+00  0.185491D+01  0.345479D+01  0.190178D+01  0.655387D+00
                46            47            48            49            50 
      1   0.184292D+01 -0.345877D+01  0.531840D+00 -0.640539D+01 -0.128822D+01
      2  -0.345877D+01 -0.630942D+00  0.335951D+00 -0.128822D+01  0.211767D+01
      3   0.531840D+00  0.335951D+00 -0.367736D+01  0.554166D+00 -0.453433D+00
                51            52            53            54            55 
      1   0.554166D+00  0.240797D+01  0.487611D+00 -0.658733D+01  0.397574D+01
      2  -0.453433D+00  0.487611D+00 -0.419243D+00 -0.317312D+01  0.184063D+01
      3  -0.261700D+01 -0.658733D+01 -0.317312D+01  0.941312D+00  0.215350D+00
                56            57            58            59            60 
      1   0.184063D+01  0.215350D+00 -0.169860D+01 -0.388218D+00  0.201988D+01
      2  -0.268198D+01  0.339305D+00 -0.388218D+00  0.126281D+01 -0.321421D+00
      3   0.339305D+00  0.456450D+01  0.201988D+01 -0.321421D+00 -0.105430D+01
                61            62            63            64            65 
      1   0.487740D+01 -0.196472D+01  0.680966D+01 -0.179783D+01 -0.124312D+01
      2  -0.196472D+01  0.987724D+00  0.869323D+00 -0.124312D+01  0.483566D-02
      3   0.680966D+01  0.869323D+00  0.677417D+01  0.166105D+01  0.195909D+01
                66            67            68            69            70 
      1   0.166105D+01  0.198546D+01  0.102295D+01 -0.821262D-01 -0.103515D+01
      2   0.195909D+01  0.102295D+01 -0.143591D+01  0.141446D+01 -0.956427D+00
      3   0.723986D+00 -0.821262D-01  0.141446D+01  0.401110D+01  0.187342D+01
                71            72            73            74            75 
      1  -0.956427D+00  0.187342D+01 -0.762084D+01  0.126544D+01  0.597372D-01
      2   0.451497D+01  0.298112D+01  0.126544D+01 -0.174384D+01  0.350048D+01
      3   0.298112D+01  0.855224D+01  0.597372D-01  0.350048D+01  0.326814D+00
                76            77            78            79            80 
      1   0.125757D+01  0.117696D+00 -0.175107D+00  0.224013D+00  0.252327D+01
      2   0.117696D+00  0.133900D+02  0.153745D+01  0.252327D+01  0.116657D+01
      3  -0.175107D+00  0.153745D+01  0.190190D+01 -0.870137D+00  0.818574D+00
                81            82            83            84            85 
      1  -0.870137D+00  0.650946D+00 -0.291105D+01 -0.194953D+01 -0.105182D+01
      2   0.818574D+00 -0.291105D+01 -0.474743D+01 -0.843120D+00 -0.295218D+01
      3  -0.328573D+01 -0.194953D+01 -0.843120D+00  0.161842D+01  0.397870D+00
                86            87            88            89            90 
      1  -0.295218D+01  0.397870D+00 -0.138582D+01 -0.154471D+00  0.232384D+01
      2  -0.914402D+01 -0.142006D+01 -0.154471D+00  0.152649D+01 -0.121776D+01
      3  -0.142006D+01  0.221090D-01  0.232384D+01 -0.121776D+01  0.224847D+00
                91            92            93            94            95 
      1  -0.879041D+00 -0.280082D+01  0.194173D+01 -0.751042D+00  0.272422D+01
      2  -0.280082D+01  0.463447D+01 -0.100848D+01  0.272422D+01 -0.901014D+01
      3   0.194173D+01 -0.100848D+01 -0.159012D+01  0.258310D+00  0.161870D+01
                96            97            98            99           100 
      1   0.258310D+00  0.105631D+01 -0.396275D+00 -0.231749D+01  0.909713D+01
      2   0.161870D+01 -0.396275D+00 -0.143007D+01 -0.126062D+01  0.791529D+00
      3   0.244105D-01 -0.231749D+01 -0.126062D+01 -0.260222D+00 -0.144215D+00
               101           102           103           104           105 
      1   0.791529D+00 -0.144215D+00  0.486801D+00  0.607036D+00 -0.229121D+00
      2   0.206604D+01  0.297067D+01  0.607036D+00  0.129527D+02 -0.149325D+01
      3   0.297067D+01 -0.484628D+00 -0.229121D+00 -0.149325D+01  0.170597D+01
               106           107           108           109           110 
      1   0.436165D+00  0.259662D+01  0.116837D+01 -0.122077D+02  0.467980D+01
      2   0.259662D+01 -0.117045D+01  0.123433D+01  0.467980D+01 -0.644234D+01
      3   0.116837D+01  0.123433D+01  0.336801D+01  0.231174D+00 -0.160717D+01
               111           112           113           114           115 
      1   0.231174D+00  0.109738D+02 -0.508675D+01 -0.258463D+01  0.820555D+01
      2  -0.160717D+01 -0.508675D+01  0.106375D+01  0.335045D+00 -0.279739D+00
      3  -0.487461D+00 -0.258463D+01  0.335045D+00  0.223833D+01 -0.332858D+01
               116           117           118           119           120 
      1  -0.279739D+00 -0.332858D+01 -0.160600D+02 -0.327052D+01 -0.559931D+01
      2   0.339202D+01  0.135170D+01 -0.327052D+01 -0.296714D+01 -0.127204D+01
      3   0.135170D+01  0.164099D+01 -0.559931D+01 -0.127204D+01 -0.353697D+01
               121           122           123           124           125 
      1  -0.973039D+01 -0.226217D+00  0.369626D+01 -0.450585D+01  0.287650D+01
      2  -0.226217D+00 -0.726335D+00 -0.145298D+00  0.287650D+01  0.232021D+01
      3   0.369626D+01 -0.145298D+00 -0.114426D+01  0.185056D+01 -0.322594D+00
               126           127           128           129           130 
      1   0.185056D+01 -0.283895D+01  0.252329D+01  0.868211D+00 -0.838618D+00
      2  -0.322594D+00  0.252329D+01  0.288517D+01  0.556246D+00  0.643202D+00
      3  -0.120842D+01  0.868211D+00  0.556246D+00 -0.423833D+01  0.195932D+01
               131           132           133           134           135 
      1   0.643202D+00  0.195932D+01 -0.543225D+01 -0.196148D+01 -0.648939D+01
      2   0.100746D+01  0.442105D+00 -0.196148D+01 -0.665436D+00  0.886797D+00
      3   0.442105D+00 -0.823421D+00 -0.648939D+01  0.886797D+00 -0.709054D+01
               136           137           138           139           140 
      1   0.883886D+00 -0.107196D+01 -0.150619D+01  0.202706D+01 -0.149452D+01
      2  -0.107196D+01  0.237248D+00  0.176114D+01 -0.149452D+01 -0.148511D+01
      3  -0.150619D+01  0.176114D+01 -0.570834D+00 -0.526835D+00 -0.186116D+01
               141           142           143           144           145 
      1  -0.526835D+00  0.573931D+00 -0.134153D+01 -0.171420D+01  0.528230D+01
      2  -0.186116D+01 -0.134153D+01 -0.446516D+01  0.274352D+01 -0.299458D+01
      3   0.378926D+01 -0.171420D+01  0.274352D+01 -0.872077D+01 -0.918940D+00
               146           147           148           149           150 
      1  -0.299458D+01 -0.918940D+00 -0.740140D+01  0.732710D+01 -0.217966D+00
      2   0.363216D+01 -0.132484D+01  0.732710D+01 -0.602643D+01 -0.668287D+00
      3  -0.132484D+01 -0.105495D+01 -0.217966D+00 -0.668287D+00 -0.162482D+01
               151           152           153           154           155 
      1  -0.238499D+01 -0.232653D+01 -0.104986D+00  0.102073D+01 -0.252661D+01
      2  -0.232653D+01 -0.248657D+00 -0.235030D+01 -0.252661D+01 -0.403332D+00
      3  -0.104986D+00 -0.235030D+01 -0.178410D+01 -0.260680D+01  0.336525D+01
               156           157           158           159           160 
      1  -0.260680D+01 -0.383227D+01 -0.338002D+00  0.428967D+01 -0.302781D+01
      2   0.336525D+01 -0.338002D+00  0.679686D+00 -0.158677D+01  0.408994D+01
      3   0.176817D+01  0.428967D+01 -0.158677D+01  0.493454D+00  0.198602D+01
               161           162           163           164           165 
      1   0.408994D+01  0.198602D+01  0.524392D+01  0.299585D+01  0.657881D+00
      2  -0.164216D+01  0.892660D+00  0.299585D+01  0.154229D+01 -0.286787D+01
      3   0.892660D+00 -0.162717D+01  0.657881D+00 -0.286787D+01 -0.366984D+00
               166           167           168           169           170 
      1   0.526403D+01  0.280636D+01 -0.432499D+01  0.726926D+00 -0.435334D+01
      2   0.280636D+01 -0.410667D+00  0.891301D+00 -0.435334D+01  0.709634D+00
      3  -0.432499D+01  0.891301D+00 -0.169791D+01  0.546873D+00 -0.190638D+01
               171           172           173           174           175 
      1   0.546873D+00  0.440799D+01  0.718751D+00  0.786571D+00  0.425212D+01
      2  -0.190638D+01  0.718751D+00  0.662675D+00  0.242147D+01  0.289822D+01
      3   0.652127D+00  0.786571D+00  0.242147D+01  0.203290D+01  0.309358D+01
               176           177           178           179           180 
      1   0.289822D+01  0.309358D+01 -0.629983D+00  0.213439D+01  0.317611D+01
      2   0.350348D+01 -0.210833D+00  0.213439D+01 -0.874945D+00  0.299780D+01
      3  -0.210833D+00  0.246538D+01  0.317611D+01  0.299780D+01  0.278968D+01
               181           182           183           184           185 
      1  -0.223118D-01 -0.597567D+01  0.108485D+00  0.161952D+01 -0.251557D+00
      2  -0.597567D+01 -0.313325D+00 -0.337594D+01 -0.251557D+00 -0.850713D+01
      3   0.108485D+00 -0.337594D+01 -0.443635D-01 -0.335024D+01  0.351238D+00
               186           187           188           189           190 
      1  -0.335024D+01  0.104773D+00 -0.496025D+01  0.226768D+00  0.912179D+01
      2   0.351238D+00 -0.496025D+01  0.141368D+00 -0.424288D+01 -0.184846D+01
      3  -0.727079D+00  0.226768D+00 -0.424288D+01  0.207067D+00 -0.609081D+00
               191           192           193           194           195 
      1  -0.184846D+01 -0.609081D+00 -0.497121D+01  0.176049D+01  0.891311D-02
      2   0.775878D+00  0.850271D+00  0.176049D+01 -0.111663D+02 -0.288067D+01
      3   0.850271D+00  0.157796D+01  0.891311D-02 -0.288067D+01 -0.313288D+01
               196           197           198           199           200 
      1  -0.355155D+01  0.111823D+01  0.843148D+00 -0.989663D+01 -0.116441D+01
      2   0.111823D+01 -0.196739D+01 -0.347199D+01 -0.116441D+01 -0.103131D+01
      3   0.843148D+00 -0.347199D+01 -0.711800D+01  0.687310D+00  0.741499D+00
               201           202           203           204           205 
      1   0.687310D+00 -0.382079D+01 -0.208569D+01  0.300196D+00  0.381824D+01
      2   0.741499D+00 -0.208569D+01 -0.101203D+02  0.310207D+01  0.994219D+00
      3  -0.185709D+01  0.300196D+00  0.310207D+01 -0.297522D+01 -0.119016D+01
               206           207           208           209           210 
      1   0.994219D+00 -0.119016D+01 -0.201589D+01  0.103761D+01  0.245137D+01
      2   0.232146D+01 -0.325333D+01  0.103761D+01 -0.735197D+00 -0.141210D+01
      3  -0.325333D+01  0.811761D+01  0.245137D+01 -0.141210D+01 -0.418887D+01
               211           212           213           214           215 
      1   0.898228D+00 -0.483823D+00 -0.645896D+00  0.225566D+01 -0.332174D+00
      2  -0.483823D+00  0.691154D+00  0.459692D+00 -0.332174D+00  0.705168D+00
      3  -0.645896D+00  0.459692D+00 -0.136088D+00 -0.237371D+01  0.227812D+00
               216           217           218           219           220 
      1  -0.237371D+01  0.428399D+00 -0.362854D+00 -0.161137D-01 -0.100761D+01
      2   0.227812D+00 -0.362854D+00  0.331419D+00 -0.232489D-01  0.946650D+00
      3   0.387317D+01 -0.161137D-01 -0.232489D-01 -0.928303D+00 -0.128368D+01
               221           222           223           224           225 
      1   0.946650D+00 -0.128368D+01  0.575753D+00 -0.227581D+00 -0.271994D-01
      2  -0.331970D+01  0.346553D+01 -0.227581D+00  0.222068D+01 -0.264525D+01
      3   0.346553D+01 -0.448755D+01 -0.271994D-01 -0.264525D+01  0.420536D+01
               226           227           228           229           230 
      1  -0.885855D+00 -0.546229D+00 -0.776799D+00 -0.172609D+01 -0.868359D-01
      2  -0.546229D+00 -0.436924D+00  0.211299D+00 -0.868359D-01  0.822392D+00
      3  -0.776799D+00  0.211299D+00 -0.986654D+00  0.445607D-01 -0.681938D+00
               231           232           233           234           235 
      1   0.445607D-01 -0.415260D+01 -0.775911D+00  0.129955D+01  0.120713D+00
      2  -0.681938D+00 -0.775911D+00 -0.124489D+01  0.134215D+01  0.882921D+00
      3  -0.561334D+00  0.129955D+01  0.134215D+01 -0.578652D+01  0.193022D+00
               236           237           238           239           240 
      1   0.882921D+00  0.193022D+00  0.317252D+01  0.211068D+01 -0.759427D+00
      2   0.764423D+00 -0.706671D-01  0.211068D+01  0.885248D+01 -0.126177D+01
      3  -0.706671D-01 -0.323594D+00 -0.759427D+00 -0.126177D+01  0.788201D+00
               241           242           243           244           245 
      1   0.102248D+00 -0.734377D-01  0.166083D+00  0.592680D+01  0.210502D+01
      2  -0.734377D-01  0.307632D-01  0.964185D+00  0.210502D+01  0.125446D+01
      3   0.166083D+00  0.964185D+00 -0.456951D+00 -0.339345D+01 -0.107334D+01
               246           247           248           249           250 
      1  -0.339345D+01  0.260657D+01  0.189574D+01 -0.122212D+01 -0.613139D+01
      2  -0.107334D+01  0.189574D+01  0.119412D+01 -0.138383D+01 -0.187203D+01
      3   0.249935D+01 -0.122212D+01 -0.138383D+01  0.138085D+01  0.505899D+01
               251           252           253           254           255 
      1  -0.187203D+01  0.505899D+01  0.419515D+01  0.200034D+01  0.180915D+01
      2  -0.169415D+01  0.225327D+01  0.200034D+01  0.123495D+01  0.648853D+00
      3   0.225327D+01 -0.484751D+01  0.180915D+01  0.648853D+00  0.149416D+01
               256           257           258           259           260 
      1   0.298444D+01  0.187673D+01  0.760161D+00  0.430367D+01  0.157628D+01
      2   0.187673D+01  0.154940D+01  0.109000D+01  0.157628D+01  0.188283D+01
      3   0.760161D+00  0.109000D+01  0.113538D+01  0.296041D+01  0.171117D+01
               261           262           263           264           265 
      1   0.296041D+01 -0.228414D+01 -0.139946D+01 -0.960619D+00 -0.199236D+01
      2   0.171117D+01 -0.139946D+01 -0.441771D+00 -0.184959D+00 -0.920353D-01
      3   0.290048D+01 -0.960619D+00 -0.184959D+00 -0.116565D+01  0.104809D-01
               266           267           268           269           270 
      1  -0.920353D-01  0.104809D-01 -0.171658D+01 -0.169891D+00 -0.232584D+00
      2  -0.839127D+00 -0.933796D+00 -0.169891D+00 -0.165600D+01 -0.151305D+01
      3  -0.933796D+00 -0.114492D+01 -0.232584D+00 -0.151305D+01 -0.360244D+01
               271           272           273           274           275 
      1   0.131849D+02 -0.420742D+01 -0.159955D+01 -0.416884D+01  0.296079D+01
      2  -0.420742D+01  0.235310D+01  0.342928D+00  0.296079D+01 -0.182308D+01
      3  -0.159955D+01  0.342928D+00  0.724979D+00  0.573979D+00 -0.391966D+00
               276           277           278           279           280 
      1   0.573979D+00 -0.499755D+00  0.291197D+00  0.124280D+01  0.890706D+01
      2  -0.391966D+00  0.291197D+00 -0.168927D+00 -0.779880D+00 -0.140528D+01
      3  -0.584878D+00  0.124280D+01 -0.779880D+00 -0.344849D+00  0.396462D+01
               281           282           283           284           285 
      1  -0.140528D+01  0.396462D+01  0.238729D+00  0.143189D+01 -0.502330D-01
      2   0.734397D+00 -0.855235D+00  0.143189D+01 -0.943919D+00  0.813180D+00
      3  -0.855235D+00  0.304355D+01 -0.502330D-01  0.813180D+00  0.319942D+00
               286           287           288           289           290 
      1   0.771079D+01 -0.195997D+01  0.505032D+01 -0.195031D+00 -0.110504D+01
      2  -0.195997D+01  0.112206D+01 -0.110188D+01 -0.110504D+01 -0.448446D+00
      3   0.505032D+01 -0.110188D+01  0.514440D+01  0.338578D-01  0.150061D+00
               291           292           293           294           295 
      1   0.338578D-01 -0.345506D+01  0.222285D+01 -0.217982D+00  0.493297D+00
      2   0.150061D+00  0.222285D+01 -0.752091D+01  0.974399D+00 -0.325371D+00
      3   0.536584D-01 -0.217982D+00  0.974399D+00 -0.914973D+00  0.848078D+00
               296           297           298           299           300 
      1  -0.325371D+00  0.848078D+00  0.270532D+01  0.331183D+01  0.991138D+00
      2   0.217873D+00 -0.705973D+00  0.331183D+01  0.663003D+01  0.120281D+01
      3  -0.705973D+00  0.504522D+00  0.991138D+00  0.120281D+01  0.639818D+00
               301           302           303           304           305 
      1   0.243813D+01  0.308150D+01  0.763001D+00  0.549646D+00  0.691236D+00
      2   0.308150D+01  0.114929D+02  0.169692D+01  0.691236D+00  0.733999D+00
      3   0.763001D+00  0.169692D+01  0.115687D+01  0.479023D+00  0.182269D+01
               306           307           308           309           310 
      1   0.479023D+00 -0.306804D+01  0.135467D+01  0.151527D+01  0.470968D+00
      2   0.182269D+01  0.135467D+01 -0.139448D+01 -0.103435D+01 -0.726883D+00
      3   0.741461D+00  0.151527D+01 -0.103435D+01 -0.172366D+01 -0.482431D+00
               311           312           313           314           315 
      1  -0.726883D+00 -0.482431D+00  0.168734D+01 -0.996540D+00 -0.154353D+01
      2   0.182183D+01  0.119485D+01 -0.996540D+00  0.223116D+01  0.152053D+01
      3   0.119485D+01  0.840701D+00 -0.154353D+01  0.152053D+01  0.268409D+01
               316           317           318           319           320 
      1   0.300207D+01  0.137238D+01 -0.155264D+01  0.492648D+00  0.634613D+00
      2   0.137238D+01  0.129627D+01 -0.102722D+01  0.634613D+00  0.165497D+01
      3  -0.155264D+01 -0.102722D+01  0.181951D+01 -0.441736D+00 -0.112630D+01
               321           322           323           324           325 
      1  -0.441736D+00 -0.161437D+01 -0.102582D+01  0.155103D+01 -0.248485D+01
      2  -0.112630D+01 -0.102582D+01 -0.210584D+01  0.147591D+01  0.311130D+01
      3   0.754478D+00  0.155103D+01  0.147591D+01 -0.271286D+01 -0.101343D+01
               326           327           328           329           330 
      1   0.311130D+01 -0.101343D+01  0.228721D+01 -0.287075D+01  0.795265D+00
      2  -0.652702D+01  0.132050D+01 -0.287075D+01  0.114400D+02 -0.186763D+01
      3   0.132050D+01 -0.662006D+00  0.795265D+00 -0.186763D+01  0.122754D+01
               331           332           333           334           335 
      1  -0.579181D+00  0.741460D+00 -0.460795D+00  0.253780D+01  0.103545D+01
      2   0.741460D+00 -0.938810D+00  0.186048D+01  0.103545D+01  0.671059D+00
      3  -0.460795D+00  0.186048D+01 -0.811005D+00 -0.257336D+01 -0.128001D+01
               336           337           338           339           340 
      1  -0.257336D+01  0.885613D+00  0.495256D+00 -0.497571D+00 -0.230412D+01
      2  -0.128001D+01  0.495256D+00  0.637885D+00 -0.404282D+00 -0.309076D+00
      3   0.414208D+01 -0.497571D+00 -0.404282D+00 -0.362764D+00  0.234922D+01
               341           342           343           344           345 
      1  -0.309076D+00  0.234922D+01 -0.321991D+00 -0.434417D+00 -0.129838D+00
      2  -0.678256D+00  0.810245D-01 -0.434417D+00 -0.343845D+00 -0.255378D-01
      3   0.810245D-01 -0.358200D+01 -0.129838D+00 -0.255378D-01  0.967069D+00
               346           347           348           349           350 
      1  -0.103191D+01 -0.836210D+00 -0.117483D+01 -0.510067D+00 -0.196935D+00
      2  -0.836210D+00 -0.331704D+01 -0.343923D+01 -0.196935D+00 -0.228067D+01
      3  -0.117483D+01 -0.343923D+01 -0.451521D+01  0.858555D-01 -0.265999D+01
               351           352           353           354           355 
      1   0.858555D-01 -0.542857D+01  0.313239D+01  0.127990D+00  0.620236D+01
      2  -0.265999D+01  0.313239D+01 -0.331992D+01  0.316111D+00 -0.557947D+01
      3  -0.399883D+01  0.127990D+00  0.316111D+00 -0.241789D+00 -0.574683D+00
               356           357           358           359           360 
      1  -0.557947D+01 -0.574683D+00 -0.232733D+01  0.188974D+01 -0.505295D+00
      2   0.807500D+01 -0.678087D-02  0.188974D+01 -0.211935D+01  0.125971D+01
      3  -0.678087D-02  0.103266D+01 -0.505295D+00  0.125971D+01 -0.589891D+00
               361           362           363           364           365 
      1   0.246252D+01  0.635476D+00  0.717654D+00  0.193199D+01 -0.574246D+00
      2   0.635476D+00  0.650693D+00  0.831436D+00 -0.574246D+00  0.242609D+01
      3   0.717654D+00  0.831436D+00  0.106662D+01 -0.933553D-01  0.142625D+01
               366           367           368           369           370 
      1  -0.933553D-01  0.226556D+01  0.566192D+00 -0.157802D+00 -0.792147D+01
      2   0.142625D+01  0.566192D+00  0.179751D+01  0.240898D+01  0.255714D+01
      3   0.128795D+01 -0.157802D+00  0.240898D+01  0.382898D+01  0.393866D+01
               371           372           373           374           375 
      1   0.255714D+01  0.393866D+01  0.385635D+01 -0.229414D+01 -0.229808D+01
      2  -0.143729D+01 -0.175289D+01 -0.229414D+01  0.203350D+01  0.181009D+01
      3  -0.175289D+01 -0.287000D+01 -0.229808D+01  0.181009D+01  0.169590D+01
               376           377           378           379           380 
      1   0.389787D+01 -0.162350D+01 -0.364688D+01  0.246958D+01 -0.100328D+01
      2  -0.162350D+01  0.120063D+01  0.146042D+01 -0.100328D+01  0.791100D+00
      3  -0.364688D+01  0.146042D+01  0.358503D+01  0.858671D+00 -0.484418D+00
               381           382           383           384           385 
      1   0.858671D+00 -0.195929D+01  0.643891D+00 -0.550863D+00  0.163760D+01
      2  -0.484418D+00  0.643891D+00 -0.187398D+01  0.122428D+01 -0.513521D+00
      3   0.494963D+00 -0.550863D+00  0.122428D+01 -0.181108D+01 -0.292109D+00
               386           387           388           389           390 
      1  -0.513521D+00 -0.292109D+00 -0.108906D+02 -0.372329D+01  0.125919D+01
      2   0.125984D+01 -0.120654D+01 -0.372329D+01 -0.201128D+01  0.588919D+00
      3  -0.120654D+01  0.316709D+01  0.125919D+01  0.588919D+00 -0.833705D+00
               391           392           393           394           395 
      1  -0.620743D+01 -0.347655D+01  0.112239D+01  0.306782D+01  0.148313D+01
      2  -0.347655D+01 -0.259555D+01  0.324424D+00  0.148313D+01  0.584218D+00
      3   0.112239D+01  0.324424D+00 -0.477549D+00 -0.176845D+01 -0.470793D+00
               396           397           398           399           400 
      1  -0.176845D+01 -0.463099D+01  0.134460D+01 -0.187455D+01  0.324343D+01
      2  -0.470793D+00  0.134460D+01 -0.105374D+01  0.815856D+00 -0.244591D+01
      3   0.808145D+00 -0.187455D+01  0.815856D+00 -0.112165D+01  0.193632D+01
               401           402           403           404           405 
      1  -0.244591D+01  0.193632D+01 -0.376779D+01  0.165468D+01 -0.230565D+01
      2   0.246256D+01 -0.141204D+01  0.165468D+01 -0.133396D+01  0.142363D+01
      3  -0.141204D+01  0.188495D+01 -0.230565D+01  0.142363D+01 -0.285697D+01
               406           407           408           409           410 
      1   0.306840D+00 -0.107458D+01  0.112833D+01 -0.407459D+01 -0.223453D+01
      2  -0.107458D+01 -0.692582D-01 -0.366569D-01 -0.223453D+01 -0.512767D+01
      3   0.112833D+01 -0.366569D-01  0.158536D+00 -0.511572D+00  0.652744D+00
               411           412           413           414           415 
      1  -0.511572D+00  0.359408D+01  0.153307D+00 -0.334471D+00 -0.350451D+01
      2   0.652744D+00  0.153307D+00  0.155576D+01 -0.119260D+01 -0.141347D+01
      3  -0.998710D+00 -0.334471D+00 -0.119260D+01  0.548369D+00 -0.232832D+01
               416           417           418           419           420 
      1  -0.141347D+01 -0.232832D+01 -0.240996D+01 -0.214331D+01 -0.158815D+01
      2  -0.108865D+01 -0.140254D+01 -0.214331D+01 -0.255475D+01 -0.187870D+01
      3  -0.140254D+01 -0.191772D+01 -0.158815D+01 -0.187870D+01 -0.190995D+01
               421           422           423 
      1  -0.500551D+01 -0.247180D+01 -0.390670D+01
      2  -0.247180D+01 -0.232398D+01 -0.319688D+01
      3  -0.390670D+01 -0.319688D+01 -0.581793D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.775796D+01 -0.640971D-01 -0.362600D+01  0.327380D+01  0.704170D+01
      2   0.386314D+01  0.316911D+01  0.108110D+02  0.101470D+02  0.561067D+01
      3  -0.164314D+02  0.301456D+01  0.282053D+01  0.146644D+02  0.209056D+02
                 6             7             8             9            10 
      1  -0.527915D+01  0.407909D+01  0.789452D+01 -0.135240D+02 -0.298042D+01
      2   0.372651D+01 -0.163085D+02 -0.603951D+01  0.271084D+02 -0.264848D+02
      3  -0.233606D+01  0.486330D+01  0.200158D+01 -0.174273D+00  0.197443D+02
                11            12            13            14            15 
      1   0.157032D+02 -0.150442D+01  0.352356D+02 -0.598522D+01 -0.559449D+01
      2  -0.156831D+02  0.190178D+01 -0.452562D+02 -0.809138D+01  0.191652D+02
      3  -0.121138D+02  0.678222D+01  0.118740D+01  0.125426D+02 -0.134879D+02
                16            17            18            19            20 
      1   0.156571D+01 -0.112590D+02  0.118638D+02 -0.110311D+02  0.132212D+02
      2   0.111004D+02  0.295835D+01 -0.205906D+02 -0.292454D+02  0.192061D+01
      3  -0.874268D+01  0.855836D+01  0.279434D+01  0.181973D+02 -0.125446D+02
                21            22            23            24            25 
      1  -0.117697D+02 -0.786886D+01 -0.165278D+01 -0.286803D+01  0.135330D+02
      2  -0.654470D+01  0.386293D+02 -0.104539D+02 -0.198516D+02 -0.414113D+02
      3   0.986407D+01 -0.204456D+01  0.154905D+01  0.166653D+02  0.934735D+00
                26            27            28            29            30 
      1  -0.576605D+01  0.757916D+00 -0.259947D+00  0.192736D+01 -0.229003D+01
      2  -0.844975D+01  0.821174D+01  0.106571D+01  0.406040D+00 -0.540931D+01
      3   0.159643D+02 -0.978167D+01  0.256438D+01 -0.534270D+01 -0.902606D-01
                31            32            33            34            35 
      1   0.765816D+00  0.105886D+02 -0.607922D+01 -0.894873D+01  0.126047D+01
      2  -0.579645D+01  0.510281D+01 -0.483555D+01 -0.172045D+02 -0.309669D+01
      3   0.142708D+02 -0.286673D+02 -0.805648D+00  0.120598D+01 -0.615974D+01
                36            37            38            39            40 
      1   0.276531D+00 -0.414208D+01  0.561137D+00  0.236770D+01  0.528211D+00
      2   0.358339D+00 -0.222956D+01  0.314475D+01  0.179772D+02  0.285804D+01
      3   0.825405D+01 -0.213960D+02 -0.239906D+01  0.159796D+00  0.865034D+00
                41            42            43            44            45 
      1   0.240177D+01 -0.167571D+01  0.311068D+01  0.315371D+01 -0.210945D+01
      2   0.525604D+01  0.104732D+02  0.188957D+02  0.110602D+02  0.514396D+01
      3   0.140874D+02 -0.567589D+01 -0.230331D+01 -0.473853D+01 -0.123095D+02
                46            47            48            49            50 
      1   0.527183D+01 -0.214197D+00  0.366246D+01 -0.267970D+01 -0.345610D+01
      2   0.529188D+01 -0.107774D+01 -0.188255D+02 -0.403057D+00 -0.402319D+01
      3   0.253084D+02 -0.364326D+01 -0.230946D+01 -0.193270D+01 -0.152603D+02
                51            52            53            54            55 
      1   0.256880D+01  0.750812D+01  0.728887D+01  0.106645D+01  0.262772D+01
      2  -0.126885D+02 -0.397569D+02 -0.165475D+02  0.843227D+00 -0.161727D+02
      3   0.510532D+01  0.221716D+00  0.303531D+01  0.817479D+01  0.241613D+02
                56            57            58            59            60 
      1  -0.115603D+02  0.618483D+01 -0.113403D+02 -0.471806D+01 -0.342190D+01
      2  -0.361615D+01  0.170459D+02  0.216324D+02  0.500654D+01 -0.677009D+01
      3   0.738311D+01 -0.643150D+01  0.970171D+00  0.377595D+01  0.597838D+01
                61            62            63            64            65 
      1  -0.186783D+02  0.100337D+02 -0.107656D+02 -0.621099D+01 -0.843781D+01
      2   0.129734D+02  0.604704D+01  0.728919D+01  0.250639D+02  0.854728D+01
      3   0.503257D+01 -0.734100D+01  0.133040D+02 -0.206881D+02 -0.323019D+00
                66            67            68            69            70 
      1   0.120138D+00  0.280241D+01 -0.147938D+02  0.809551D+01 -0.741999D+01
      2   0.555584D+01 -0.846484D+01  0.719572D+01  0.473859D+01  0.430603D+01
      3  -0.140384D+01  0.745812D+01  0.954494D+01 -0.169364D+02 -0.225687D+01
                71            72            73            74            75 
      1   0.938931D+01 -0.125773D+02  0.317104D+02 -0.157017D+02  0.103159D+02
      2   0.948344D+01  0.164187D+02  0.856140D+01 -0.214709D+01  0.464749D+01
      3  -0.712087D+01  0.201817D+00 -0.356593D+02  0.392696D+01 -0.945756D+01
                76            77            78            79            80 
      1   0.948091D+01  0.458842D+02  0.479618D+01  0.120537D+02  0.647616D+01
      2  -0.820141D+01  0.699311D+01  0.651220D+01  0.165195D+00  0.655695D+01
      3  -0.427361D+01 -0.378927D+02 -0.722449D+01 -0.122365D+02  0.488387D+01
                81            82            83            84            85 
      1   0.233586D+02  0.391398D+01  0.362596D+00 -0.116649D+02 -0.104545D+02
      2  -0.969378D+01 -0.294835D+01  0.373044D+01  0.564697D+01  0.174702D+01
      3  -0.191178D+02  0.698989D+01 -0.174890D+02 -0.768352D+01  0.152244D+01
                86            87            88            89            90 
      1  -0.163241D+02 -0.672555D+01 -0.144577D+02  0.825938D+01 -0.876970D+01
      2  -0.919689D+00  0.133223D+01  0.151782D+01  0.225871D+01 -0.315218D+01
      3  -0.557487D+00  0.551484D+01 -0.783707D+01 -0.567075D+00  0.135708D+02
                91            92            93            94            95 
      1  -0.328593D+01  0.125344D+01  0.117434D+02 -0.968515D+01  0.154818D+02
      2  -0.203800D+01 -0.411504D+01  0.532185D+01 -0.870061D-01 -0.186769D+01
      3  -0.725592D+01 -0.179154D+02  0.789613D+01  0.160602D+01  0.153723D+01
                96            97            98            99           100 
      1  -0.704038D+01  0.150116D+02  0.845384D+01  0.930969D+01 -0.316479D+02
      2  -0.108282D+01  0.685344D+00 -0.279761D+01 -0.315374D+01  0.180708D+02
      3   0.489360D+01  0.665956D+01 -0.110132D+01 -0.134081D+02  0.386362D+02
               101           102           103           104           105 
      1  -0.131208D+02 -0.971270D+01  0.731016D+01 -0.448948D+02  0.607634D+01
      2   0.409739D+01  0.441915D+01  0.497608D+01  0.887941D+01 -0.580824D+01
      3   0.207851D+01  0.758305D+01 -0.428960D+01  0.378788D+02 -0.718754D+01
               106           107           108           109           110 
      1  -0.124890D+02  0.336192D+01 -0.258744D+02  0.787139D+01  0.144412D+02
      2   0.118035D+00 -0.718657D+01 -0.632771D+01 -0.287103D+02  0.133552D+02
      3   0.139936D+02  0.611256D+01  0.211565D+02 -0.196097D+02 -0.134792D+02
               111           112           113           114           115 
      1  -0.998707D+00  0.367594D+02  0.291690D+01 -0.478797D+01 -0.462090D+01
      2  -0.294966D+01  0.358101D+02 -0.133709D+02 -0.178341D+02  0.981617D+01
      3  -0.661282D+01 -0.327620D+01 -0.141924D+02 -0.909526D+01  0.445329D+01
               116           117           118           119           120 
      1  -0.108600D+02 -0.124590D+02  0.144554D+02  0.139226D+02  0.103929D+02
      2  -0.205679D+01 -0.201842D+02 -0.328152D+02 -0.619082D+01 -0.674626D+01
      3   0.867853D+01 -0.251542D+01 -0.168546D+02 -0.142478D+02 -0.803540D+01
               121           122           123           124           125 
      1  -0.101919D+02  0.262965D+01 -0.271843D+01 -0.158315D+02 -0.586811D+01
      2  -0.346250D+02 -0.670424D+01  0.238554D+02 -0.379865D+02  0.956299D+01
      3   0.255215D+01  0.183440D+01  0.150243D+02  0.359700D+01  0.155308D+02
               126           127           128           129           130 
      1   0.127802D+01 -0.817717D+01 -0.132433D+02 -0.560292D+01 -0.129517D+02
      2   0.120370D+02 -0.189605D+02  0.551861D+01  0.212462D+02 -0.187166D+02
      3   0.871406D+01 -0.180994D+02  0.900666D+01  0.684214D+01  0.317837D+01
               131           132           133           134           135 
      1   0.398962D+01 -0.409787D+01  0.220291D+02  0.923443D+01  0.114917D+02
      2   0.516229D+01  0.713673D+01  0.936270D+01 -0.707592D+01  0.678338D+01
      3  -0.299108D+01  0.473662D+01 -0.853207D+01 -0.680915D+01 -0.124435D+02
               136           137           138           139           140 
      1   0.566155D+01 -0.770151D+01  0.774431D+00  0.689630D+01  0.171591D+02
      2   0.247627D+02 -0.769471D+01  0.541726D+01  0.989530D+01  0.563508D+01
      3   0.186374D+02 -0.526787D+00  0.878893D+00  0.417555D+01 -0.124472D+02
               141           142           143           144           145 
      1   0.906102D+01  0.874766D+01  0.115195D+02  0.139046D+02  0.458747D+01
      2  -0.962638D+01  0.438611D+01 -0.977706D+01  0.164670D+02  0.656839D+01
      3  -0.166459D+02  0.159336D+01 -0.724598D+01 -0.147936D+01  0.232311D+01
               146           147           148           149           150 
      1   0.492919D+01  0.255951D+01  0.479215D+01  0.707165D+00  0.134771D+00
      2   0.425870D+01  0.939247D+01 -0.104454D+02  0.488028D+01  0.931255D+01
      3   0.258135D+01 -0.109941D+02  0.140385D+02 -0.624001D+01 -0.242665D+01
               151           152           153           154           155 
      1  -0.427692D+01  0.110416D+02  0.678534D+01 -0.422970D+01 -0.281864D+01
      2  -0.746416D+01  0.182466D+02  0.174443D+02  0.983171D+01 -0.134715D+02
      3  -0.120485D+02 -0.627922D+01 -0.117267D+02 -0.154952D+02 -0.645775D+01
               156           157           158           159           160 
      1   0.486259D+01 -0.568632D+01  0.159267D+01 -0.511127D+01  0.764531D+01
      2  -0.225565D+01 -0.191801D+02  0.809450D+01 -0.109123D+02 -0.763580D+01
      3   0.173807D+02 -0.549678D+01  0.500615D+01 -0.356260D+01  0.224104D+02
               161           162           163           164           165 
      1  -0.330090D+00  0.231824D+01  0.883712D+00 -0.127986D+01 -0.156241D+01
      2  -0.123869D+02  0.490155D+01 -0.298399D+01  0.182940D+02  0.448955D+01
      3  -0.410523D+01  0.768408D+01  0.180165D+02  0.625211D+01 -0.173557D+02
               166           167           168           169           170 
      1  -0.172206D+01 -0.120739D+01 -0.333050D+01 -0.378585D+01 -0.973775D-01
      2   0.296944D+02 -0.337483D+01  0.931609D+01 -0.440820D+01  0.102903D+02
      3   0.187382D+02 -0.351817D+01  0.568467D+01 -0.282800D+02  0.359052D+01
               171           172           173           174           175 
      1  -0.864721D+00 -0.219418D+01  0.285556D+01  0.622922D+00  0.191302D+01
      2  -0.277678D+01  0.712414D+01 -0.847228D+01 -0.516733D+01 -0.537160D+01
      3  -0.107053D+02  0.563563D-01  0.204726D+00  0.958793D+01  0.130067D+02
               176           177           178           179           180 
      1  -0.106749D+02  0.487865D+00  0.569350D+01  0.126626D+02  0.306234D+01
      2   0.134411D+02 -0.790471D+01 -0.209013D+02 -0.141480D+02 -0.461515D+01
      3   0.153121D+02 -0.108257D+02  0.115023D+02 -0.970940D+01  0.116169D+02
               181           182           183           184           185 
      1   0.253406D+01  0.163366D+02  0.210585D+00 -0.259369D+02 -0.141073D+01
      2   0.566004D+02  0.630894D+00  0.265466D+02  0.326883D+01 -0.648530D+01
      3  -0.199766D+01 -0.212737D+02 -0.174679D+01  0.847111D+02 -0.786480D+00
               186           187           188           189           190 
      1  -0.551243D+02 -0.241312D+01  0.242878D+02 -0.997552D+00  0.199029D+01
      2  -0.711220D+00 -0.435758D+02  0.746515D+00 -0.283223D+02  0.170142D+01
      3   0.862157D+01 -0.391256D+01 -0.223653D+02  0.220849D+01 -0.116636D+02
               191           192           193           194           195 
      1  -0.578208D+01 -0.379592D+00 -0.745029D+01  0.763091D+01 -0.777606D+01
      2  -0.220010D+00  0.550793D+01  0.974856D+00  0.158097D+01 -0.179984D+01
      3  -0.859734D+01 -0.753794D+00  0.577161D+01  0.544085D+01  0.722527D+01
               196           197           198           199           200 
      1   0.147181D+01  0.107806D+02 -0.420893D+01 -0.404130D+01 -0.661051D+01
      2  -0.759755D+01  0.613713D+00  0.253745D+01  0.313017D+01 -0.127237D+00
      3  -0.421748D+01  0.480143D+01 -0.142606D+01  0.977307D+01 -0.100691D+02
               201           202           203           204           205 
      1   0.599840D-02 -0.869684D+01 -0.624414D+01 -0.553800D+01 -0.474750D+00
      2   0.732123D+01 -0.245776D+01  0.241752D+01  0.275389D+01 -0.613723D+01
      3   0.274715D+01  0.182748D+01 -0.532574D+01  0.821823D+01  0.735309D+01
               206           207           208           209           210 
      1   0.119233D+02  0.302583D+01  0.189438D+01 -0.202082D+01  0.675837D-01
      2  -0.998937D+00  0.221020D+01  0.927259D+01 -0.494844D+01 -0.906069D+01
      3   0.629962D+01  0.259866D+00 -0.949089D+00  0.217712D+00  0.324049D+01
               211           212           213           214           215 
      1  -0.101886D+01  0.150688D+01  0.966034D+00  0.184372D+01  0.238032D+01
      2  -0.667717D+01  0.221355D+01  0.155475D+01 -0.124142D+02  0.591376D+00
      3   0.309564D+01 -0.621324D+00 -0.802287D+00  0.399375D+01  0.799177D+00
               216           217           218           219           220 
      1  -0.242951D+01 -0.911768D+00  0.209563D+01 -0.546900D+00  0.259751D+01
      2   0.941523D+01 -0.399421D+00  0.791279D+00 -0.135372D+01  0.183242D+01
      3  -0.241420D+01  0.115689D+01 -0.203540D+01 -0.406813D+00  0.858484D+00
               221           222           223           224           225 
      1  -0.838481D+01  0.601367D+01 -0.260314D+00  0.757833D+01 -0.488914D+01
      2   0.370565D+01 -0.461587D+01 -0.237826D+01 -0.510037D+01  0.751355D+01
      3   0.521391D+01 -0.608974D+01 -0.585482D+00 -0.512070D+01  0.514807D+01
               226           227           228           229           230 
      1   0.359177D+01 -0.644697D-01  0.240563D+01 -0.881145D+00  0.112842D+01
      2  -0.712634D+01  0.220054D+00 -0.638209D+01 -0.229352D+01 -0.440175D+01
      3  -0.951470D+00  0.212317D+00 -0.278127D+01 -0.236029D+01 -0.283954D+01
               231           232           233           234           235 
      1   0.187496D+01 -0.319780D+01  0.258980D+00  0.138558D+02 -0.221688D+01
      2  -0.231206D+01 -0.218190D+01  0.562808D+01 -0.267900D+02  0.316788D+01
      3   0.313111D+01 -0.504043D+01  0.101428D+01 -0.274759D+01 -0.456966D+01
               236           237           238           239           240 
      1  -0.961078D+00  0.404971D+00  0.375552D+00 -0.721966D+01 -0.300589D+01
      2   0.505651D+00 -0.665387D+00 -0.638784D+00 -0.592264D+01  0.331593D+01
      3  -0.574492D+00  0.117781D+01  0.497016D+01 -0.290406D+02  0.187770D+01
               241           242           243           244           245 
      1   0.120376D+00 -0.143262D+01  0.306475D+00  0.174143D+01 -0.861342D+00
      2  -0.205807D+00  0.355839D+01 -0.271227D+01 -0.115428D+02 -0.384834D+01
      3   0.135751D+01 -0.142497D+01 -0.327464D+01 -0.412310D+01 -0.555323D+01
               246           247           248           249           250 
      1  -0.290762D+01  0.649093D+00  0.211611D+00 -0.139831D+01 -0.532398D+01
      2   0.122040D+02 -0.393439D+01 -0.554490D+01  0.676338D+01  0.185902D+02
      3   0.158599D+01 -0.443700D+01 -0.384743D+01  0.509583D+01  0.337412D+00
               251           252           253           254           255 
      1   0.107771D+01  0.463029D+01 -0.356224D+01 -0.102918D+01 -0.259895D+01
      2   0.102849D+02 -0.220814D+02  0.102020D+02  0.420345D+01  0.100170D+02
      3   0.792915D+01 -0.495905D+01 -0.600869D+01 -0.585405D+01 -0.551720D+00
               256           257           258           259           260 
      1  -0.188193D+01 -0.176391D+01 -0.340117D+01 -0.406132D+01 -0.164598D+01
      2   0.520763D+01  0.656326D+01  0.664680D+01  0.155816D+02  0.911927D+01
      3  -0.334687D+01 -0.582072D+01 -0.499548D+01 -0.816435D+00 -0.977209D+01
               261           262           263           264           265 
      1  -0.535289D+01  0.153181D+01  0.127031D+01 -0.100961D+01  0.667049D+00
      2   0.180180D+02 -0.110216D+02 -0.389422D+01 -0.771954D+01 -0.306128D+01
      3  -0.480838D+01  0.126247D+02  0.556714D+01  0.250638D+01  0.742321D+01
               266           267           268           269           270 
      1  -0.214366D+00 -0.100914D+01  0.583568D-01  0.222433D+01 -0.265435D+01
      2  -0.622569D+01 -0.585714D+01 -0.102794D+02 -0.845193D+01 -0.200214D+02
      3   0.551997D+01  0.539464D+01  0.550117D+01  0.903013D+01  0.896127D+01
               271           272           273           274           275 
      1   0.851996D+00 -0.212423D+01  0.149668D+01 -0.102032D+01  0.767125D+00
      2  -0.943255D+00 -0.527331D+00  0.560939D+01 -0.384315D-01 -0.452162D+00
      3   0.100246D+02 -0.125105D+02 -0.438558D+00 -0.910003D+01  0.711372D+01
               276           277           278           279           280 
      1  -0.137403D+01  0.502040D+00  0.339800D+00 -0.413397D-02  0.263212D+01
      2  -0.385307D+01  0.363230D+01 -0.383268D+01 -0.126008D+01  0.141276D+01
      3   0.120244D+01 -0.674137D+00  0.348418D+00  0.344590D+01 -0.439861D+01
               281           282           283           284           285 
      1   0.346758D+00  0.409032D+01  0.134935D+01 -0.679680D-01  0.655597D+00
      2  -0.731999D+00  0.966080D+01 -0.127367D+01  0.982256D+00  0.200836D+01
      3  -0.371455D+01 -0.153025D+01 -0.582152D+01  0.316161D+01 -0.329122D+01
               286           287           288           289           290 
      1   0.392825D+01  0.241006D+01  0.509894D+01 -0.284430D+01 -0.212784D+01
      2   0.751830D+01 -0.101900D+01  0.146281D+02  0.133031D+01 -0.751096D-01
      3  -0.411202D+00 -0.364276D+01 -0.118468D+01  0.745865D+01  0.539440D+01
               291           292           293           294           295 
      1  -0.391643D+00  0.165332D+01 -0.862621D+01 -0.364912D+01 -0.881938D+00
      2  -0.336489D+00  0.320819D+01 -0.175057D+01 -0.391443D+01 -0.949689D+00
      3   0.154537D+01 -0.478304D+00  0.338862D+02 -0.271102D+01  0.317636D+01
               296           297           298           299           300 
      1  -0.762249D-01 -0.249131D+01 -0.609312D+00  0.494855D+01 -0.300314D+01
      2  -0.298875D+01 -0.133677D+01 -0.274685D+01 -0.150949D+01  0.635236D+00
      3   0.152345D+01  0.417748D+01  0.113921D+02  0.635658D+01  0.387339D+01
               301           302           303           304           305 
      1  -0.183745D+01  0.714114D+01 -0.668108D+01 -0.207769D+01 -0.506519D+01
      2  -0.201045D+01 -0.244665D+00  0.534095D+00 -0.155441D+01  0.434464D+00
      3   0.117980D+02  0.527723D+01  0.369553D+01  0.271029D+01  0.173703D+01
               306           307           308           309           310 
      1  -0.563993D+00 -0.482141D+01  0.162613D+01  0.758835D+01  0.140242D+01
      2   0.984700D+00  0.790922D+01 -0.119200D+01 -0.204377D+01  0.718441D+00
      3   0.969168D+00 -0.169834D+02  0.370310D+01  0.674660D+01  0.269631D+01
               311           312           313           314           315 
      1  -0.406513D+01 -0.208635D+01  0.573152D+01 -0.166573D+00 -0.803318D+01
      2   0.147461D+01  0.560243D+00 -0.568938D+01  0.194098D+01  0.287148D+01
      3  -0.272077D+01 -0.251295D+01  0.854798D+01 -0.483100D+01 -0.773366D+01
               316           317           318           319           320 
      1   0.445988D+01  0.145320D+01 -0.780375D+01  0.129881D+01  0.400819D+01
      2   0.666315D+01  0.121619D+01 -0.155380D+01 -0.562200D+00  0.937877D+00
      3   0.158640D+02  0.400174D+01 -0.667874D+01  0.292729D+01  0.197456D+01
               321           322           323           324           325 
      1  -0.190812D+01 -0.533017D+01 -0.326002D+00  0.804736D+01  0.107183D+01
      2  -0.464559D+00 -0.492888D+01 -0.195200D+01  0.255423D+01 -0.283416D+01
      3  -0.219040D+01 -0.767207D+01 -0.473261D+01  0.743378D+01 -0.110855D+02
               326           327           328           329           330 
      1   0.472935D+01  0.255297D+01 -0.209552D+01 -0.668554D+01 -0.671496D+01
      2   0.110310D+01  0.623147D+00  0.244667D+01 -0.164887D-01 -0.345937D+00
      3   0.639137D+01 -0.377229D+01  0.116242D+02 -0.582610D+01  0.408081D+01
               331           332           333           334           335 
      1   0.181743D+01 -0.495535D+01  0.877762D+00 -0.212147D+01 -0.191052D+01
      2  -0.187553D+01 -0.156701D+00  0.834852D+00  0.114681D+02  0.514971D+01
      3  -0.317096D+01  0.170131D+01 -0.110768D+01  0.130780D+01 -0.113822D+00
               336           337           338           339           340 
      1  -0.490074D+00 -0.101235D+01 -0.123446D+01  0.121867D+01 -0.187758D+01
      2  -0.812185D+01  0.679668D+01  0.205430D+01 -0.923725D+00 -0.124014D+02
      3  -0.307254D+01  0.262793D+01  0.397381D+00 -0.559445D+00 -0.350686D+01
               341           342           343           344           345 
      1   0.223119D+01  0.233251D+01  0.137908D+01  0.161205D+01  0.423392D+00
      2  -0.267081D+00  0.842527D+01 -0.209960D+00 -0.101988D+01 -0.143278D+01
      3   0.900672D+00  0.199091D+01 -0.126543D+01 -0.170381D+01  0.125539D+00
               346           347           348           349           350 
      1   0.200016D+01  0.882275D+01  0.614831D+01  0.622264D+00  0.754433D+01
      2  -0.222432D+01  0.361277D+01  0.445700D+01 -0.254108D+01  0.487786D+01
      3   0.124969D+01 -0.516678D+01 -0.567369D+01  0.352451D+00 -0.506238D+01
               351           352           353           354           355 
      1   0.509319D+01  0.143726D+01 -0.275976D+01  0.258241D+01 -0.205909D+01
      2   0.701556D+01  0.229576D+01 -0.203471D+01  0.274584D+01  0.244085D+01
      3  -0.528329D+01 -0.172377D+01 -0.541979D+01  0.207424D+01 -0.302761D+01
               356           357           358           359           360 
      1   0.443856D+01 -0.493971D+01  0.176996D+01 -0.323915D+01  0.174124D+01
      2  -0.671319D+00 -0.570536D+01  0.192816D+00 -0.536752D+01  0.114647D+01
      3   0.174338D+02 -0.158683D+01 -0.187947D+00 -0.412040D+01  0.446165D+01
               361           362           363           364           365 
      1  -0.343066D+00 -0.127236D+01 -0.283221D+01  0.139855D+01 -0.157880D+01
      2  -0.904002D+01 -0.585883D+01 -0.702915D+01  0.343089D+00 -0.846978D+01
      3   0.116064D+02  0.473183D+01  0.549679D+01  0.440629D+01  0.769472D+01
               366           367           368           369           370 
      1  -0.294498D+01  0.154615D+01 -0.180381D+01 -0.848078D+01  0.521001D+00
      2  -0.645939D+01 -0.736708D+01 -0.124036D+02 -0.177670D+02 -0.695061D+01
      3   0.549300D+01  0.793308D+01  0.875341D+01  0.106933D+02  0.499993D+01
               371           372           373           374           375 
      1  -0.209882D+01  0.169092D+00 -0.657098D+00  0.242517D+01  0.104354D+00
      2   0.507058D+01  0.107202D+02  0.528451D+01 -0.581270D+01 -0.580074D+01
      3  -0.692446D+01 -0.534866D+01 -0.479381D+01  0.921343D+01  0.627607D+01
               376           377           378           379           380 
      1   0.336666D-01  0.239010D+01 -0.959267D+00 -0.320516D+01  0.323335D+01
      2   0.904136D+01 -0.439325D+01 -0.131374D+02 -0.116988D+02  0.595845D+01
      3  -0.495138D+01  0.531325D+01  0.393083D+01 -0.453904D+01  0.538084D+01
               381           382           383           384           385 
      1  -0.190549D+01  0.394560D+01 -0.620517D+01  0.221795D+01 -0.269764D+01
      2  -0.455930D+01  0.102886D+02 -0.944635D+01  0.109940D+02 -0.596377D+01
      3  -0.324868D+01  0.940703D+01 -0.126644D+02  0.602363D+01 -0.430917D+01
               386           387           388           389           390 
      1   0.489201D+01 -0.377531D+01  0.836594D+00 -0.815449D-01 -0.129590D+01
      2   0.817654D+01 -0.152586D+02 -0.865324D+01 -0.421955D+01  0.752201D+01
      3   0.630471D+01 -0.639370D+01 -0.162838D+02 -0.125218D+02  0.289546D+01
               391           392           393           394           395 
      1   0.126478D+01 -0.243589D+00 -0.160435D+01 -0.512520D+00  0.813695D+00
      2  -0.855397D+01 -0.250052D+01  0.432530D+01  0.858009D+01  0.266298D+01
      3  -0.143307D+02 -0.143362D+02  0.109055D+01  0.696626D+01  0.379075D+01
               396           397           398           399           400 
      1   0.107394D+01 -0.123371D+01  0.777506D+00  0.334188D-02  0.919570D+00
      2  -0.584204D+01  0.817501D+01 -0.398255D+01  0.646320D+01 -0.843010D+01
      3  -0.194090D+01  0.622648D+01 -0.722122D+01  0.512077D+01 -0.107888D+02
               401           402           403           404           405 
      1  -0.116800D+01 -0.799841D+00 -0.215154D+00  0.227357D+01  0.259334D-01
      2   0.609357D+01 -0.112507D+02  0.774340D+01 -0.699819D+01  0.151624D+02
      3   0.154088D+02 -0.773779D+01  0.930117D+01 -0.884182D+01  0.777047D+01
               406           407           408           409           410 
      1   0.644167D+01 -0.287046D+01  0.830752D+00 -0.434955D+00  0.889460D+01
      2  -0.451665D+01  0.175031D+01 -0.145686D+01 -0.146764D+01 -0.100777D+02
      3  -0.719998D+01  0.301934D+01 -0.524638D+01  0.445647D+00 -0.224487D+02
               411           412           413           414           415 
      1  -0.608289D+01  0.990782D+00 -0.498469D+01  0.594105D+01 -0.207058D+01
      2   0.575102D+01  0.131375D+01  0.914201D+01 -0.903529D+01  0.468715D+01
      3   0.672170D+01 -0.901528D+01  0.101621D+02 -0.105910D+02 -0.159818D+01
               416           417           418           419           420 
      1  -0.889593D+00 -0.254220D+01  0.336497D+00  0.125150D+01 -0.144979D+01
      2   0.381598D+01  0.596310D+01  0.197094D+01  0.393441D+01  0.609495D+01
      3  -0.445158D+01 -0.318521D+01 -0.428744D+01 -0.873285D+01 -0.544584D+01
               421           422           423 
      1  -0.182006D+01  0.370048D-01 -0.553471D+01
      2   0.560942D+01  0.948458D+01  0.197900D+02
      3  -0.328992D+01 -0.767323D+01 -0.939602D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.368525D+02  0.831329D+01  0.103765D+02  0.164452D+02  0.159372D+02
      2   0.204506D+02 -0.595609D+01 -0.763440D+00 -0.154064D+02 -0.365146D+02
      3   0.164019D+02 -0.235721D+01 -0.961302D+01 -0.103884D+01  0.205775D+02
      4   0.561997D+00 -0.327723D+01  0.150446D+01 -0.849887D+01 -0.440884D+02
      5   0.699609D+01 -0.137673D+01  0.868563D+01  0.678274D+00  0.297023D+01
      6  -0.170673D+01  0.295278D+00  0.403070D+01  0.347865D+01  0.796351D+01
                 6             7             8             9            10 
      1   0.190709D+01  0.116091D+02  0.329419D+01  0.141215D+02  0.264260D+02
      2   0.495648D+01 -0.623476D+01 -0.166591D+01  0.519519D+01 -0.226881D+02
      3  -0.686357D+01 -0.537430D+01 -0.162828D+01 -0.193167D+02 -0.373798D+01
      4   0.576329D+01  0.941530D+01  0.343345D+01  0.343739D+01  0.313390D+02
      5   0.413342D+01  0.236872D+01 -0.659928D+00  0.184639D+02 -0.203474D+01
      6   0.156988D+01 -0.111697D+01 -0.224084D+00  0.998052D+01 -0.447392D+01
                11            12            13            14            15 
      1   0.118497D+02 -0.432239D+01  0.521546D+02  0.884898D+01 -0.114542D+02
      2   0.105591D+02  0.239848D+01 -0.150451D+02 -0.140479D+02  0.428299D+01
      3  -0.224088D+02  0.192391D+01 -0.371094D+02  0.519892D+01  0.717123D+01
      4   0.137895D+02 -0.825237D+01  0.199504D+02  0.151256D+02 -0.154795D+01
      5  -0.545477D+01  0.932301D+01 -0.282716D+01 -0.295675D+01  0.314599D+01
      6   0.589134D+01 -0.104792D+01 -0.103979D+01 -0.256286D+01  0.622555D+01
                16            17            18            19            20 
      1  -0.241641D+02  0.435555D+01  0.816683D+01  0.658579D+02 -0.174320D+02
      2   0.518726D+01 -0.995484D+01 -0.331014D+01 -0.369833D+02  0.172328D+02
      3   0.189769D+02  0.559929D+01 -0.485669D+01 -0.288746D+02  0.199277D+00
      4  -0.250027D+01 -0.966018D+01  0.997126D+01 -0.292400D+02  0.118772D+02
      5   0.183059D+02  0.733091D+01 -0.991784D+01  0.435534D+02 -0.922685D+01
      6   0.675737D+01  0.238473D+01 -0.389645D+01 -0.105052D+02  0.595243D+01
                21            22            23            24            25 
      1   0.173085D+02 -0.541980D+02  0.422247D+01  0.117541D+02  0.260254D+02
      2  -0.194351D+02  0.180009D+02  0.103034D+02 -0.777316D+01 -0.574840D+01
      3   0.212663D+01  0.361970D+02 -0.145259D+02 -0.398091D+01 -0.202770D+02
      4  -0.849426D+01  0.384485D+01 -0.135588D+02  0.643279D+01  0.156414D+02
      5   0.151633D+02  0.701971D+01  0.814199D+01 -0.842326D+00 -0.412642D+00
      6  -0.591085D+01  0.775043D+01 -0.242882D+01 -0.149343D+01  0.166942D+01
                26            27            28            29            30 
      1   0.938465D+01 -0.446006D+01 -0.439096D+02  0.561071D+01 -0.219994D+02
      2  -0.898184D+01 -0.108293D+01  0.322635D+02 -0.962163D+01  0.169782D+02
      3  -0.402815D+00  0.554299D+01  0.116461D+02  0.401092D+01  0.502116D+01
      4   0.201316D+00 -0.296155D+01  0.989295D+01  0.281423D+01  0.115520D+02
      5   0.165569D+00  0.293498D+01 -0.436515D+02  0.114448D+02 -0.353842D+02
      6   0.605002D+00  0.102706D+02  0.107813D+02 -0.228455D+01  0.791685D+01
                31            32            33            34            35 
      1   0.322366D+01  0.909587D+01  0.351468D+01 -0.360125D+02  0.139793D+02
      2   0.541896D+01 -0.220988D+02 -0.480361D+00  0.285580D+02 -0.101844D+02
      3  -0.864263D+01  0.130029D+02 -0.303431D+01  0.745455D+01 -0.379486D+01
      4  -0.110833D+02  0.375051D+02 -0.440632D+01  0.178886D+02  0.523867D+01
      5   0.789302D+01 -0.674227D+01 -0.621376D+01 -0.581385D+02 -0.679354D+00
      6  -0.485050D+01  0.747911D+01  0.882287D+00  0.124362D+02 -0.638286D+00
                36            37            38            39            40 
      1  -0.374102D+02 -0.760401D+02  0.481007D+02  0.128111D+02  0.535360D+02
      2   0.274669D+02  0.339823D+02 -0.219298D+02 -0.351195D+01 -0.260028D+02
      3   0.994326D+01  0.420578D+02 -0.261709D+02 -0.929915D+01 -0.275332D+02
      4   0.288347D+00  0.537850D+02 -0.125357D+02 -0.471010D+01 -0.178767D+02
      5  -0.232221D+02  0.137806D+02 -0.513788D+01  0.235304D+02 -0.320305D+01
      6   0.372366D+01 -0.790659D+01  0.194847D+01 -0.444111D+01  0.108137D+01
                41            42            43            44            45 
      1  -0.122790D+02  0.107699D+01  0.617809D+01  0.211997D+01  0.331606D+02
      2   0.792846D+01  0.898549D+00  0.265131D+00  0.164795D+01 -0.163107D+02
      3   0.435053D+01 -0.197554D+01 -0.644322D+01 -0.376792D+01 -0.168499D+02
      4  -0.142231D+02  0.676382D+01 -0.169998D+01  0.605847D+01  0.159072D+02
      5   0.707206D+01  0.164341D+02  0.323714D+02  0.167951D+02  0.496397D+01
      6   0.375128D+00 -0.333482D+01 -0.290875D+01 -0.262549D+01 -0.479544D+01
                46            47            48            49            50 
      1   0.171662D+02 -0.307563D+02 -0.433761D+00 -0.483282D+02 -0.102769D+02
      2  -0.736120D+01  0.174701D+02 -0.597457D+01  0.265145D+02  0.100317D+02
      3  -0.980502D+01  0.132861D+02  0.640834D+01  0.218137D+02  0.245287D+00
      4  -0.335834D+02 -0.116997D+02  0.345527D+01 -0.178410D+02  0.157287D+02
      5   0.690745D+01  0.583164D+01 -0.400094D+02  0.574364D+01 -0.339159D+01
      6   0.607429D+01  0.405746D-02 -0.102621D+02  0.176451D+01 -0.334036D+01
                51            52            53            54            55 
      1   0.113267D+01  0.119847D+02 -0.147003D+00 -0.534067D+02 -0.433893D+01
      2  -0.451092D+01 -0.150051D+02 -0.446865D+01  0.279946D+02 -0.939215D+01
      3   0.337825D+01  0.302047D+01  0.461565D+01  0.254121D+02  0.137311D+02
      4  -0.346112D+01  0.306732D+01 -0.417141D+01 -0.405304D+02  0.156910D+02
      5  -0.255967D+02 -0.696994D+02 -0.347644D+02  0.130858D+02  0.284526D+01
      6  -0.770130D+01 -0.192017D+02 -0.765417D+01  0.408732D+01 -0.395562D+01
                56            57            58            59            60 
      1   0.914502D+01 -0.230538D+02 -0.434040D+01 -0.139872D+01  0.541801D+01
      2  -0.977716D+01 -0.105883D+02 -0.340174D+01  0.822722D+01  0.108363D+01
      3   0.632140D+00  0.336420D+02  0.774215D+01 -0.682850D+01 -0.650165D+01
      4  -0.306496D+01 -0.509223D+00  0.562680D+01  0.369405D+01 -0.215171D+01
      5  -0.176704D-01  0.245607D+02 -0.377963D+00 -0.122383D+01  0.785271D+01
      6   0.205320D+01  0.707433D+01 -0.414442D+00  0.354621D+01 -0.937522D+01
                61            62            63            64            65 
      1   0.215971D+01 -0.157259D+02 -0.347478D+01 -0.186493D+01 -0.626304D+01
      2  -0.220608D+02  0.980853D+01 -0.286366D+02  0.611768D+01 -0.360706D+01
      3   0.199011D+02  0.591734D+01  0.321114D+02 -0.425275D+01  0.987010D+01
      4  -0.124479D+02  0.389064D+01 -0.723473D-01  0.163205D-01  0.978162D+01
      5   0.284157D+02 -0.788411D+00  0.309113D+02  0.590041D+01 -0.285995D+01
      6  -0.552126D+01 -0.560398D+01  0.563164D+00 -0.796081D+00 -0.615874D+00
                66            67            68            69            70 
      1   0.579885D+01 -0.650985D+01  0.730089D+01 -0.264945D+02 -0.136178D+01
      2  -0.886412D+01 -0.274424D+00 -0.183142D+02 -0.439296D+01 -0.530194D+01
      3   0.306528D+01  0.678427D+01  0.110134D+02  0.308875D+02  0.666372D+01
      4  -0.321173D+01  0.427985D+01  0.928111D+00  0.107011D+01 -0.451824D+01
      5   0.417928D+01 -0.916918D+00  0.972515D+00  0.179676D+02  0.224761D+01
      6   0.144545D+02  0.299892D+01  0.552564D+01  0.159171D+02  0.400230D+01
                71            72            73            74            75 
      1  -0.228929D+02 -0.217198D+02 -0.377958D+01 -0.401265D+01 -0.406278D+01
      2   0.119088D+02 -0.161018D+02  0.125334D+02 -0.762897D+01  0.190149D+01
      3   0.109841D+02  0.378216D+02 -0.875380D+01  0.116416D+02  0.216129D+01
      4   0.889101D+01  0.853782D+01 -0.916251D+01 -0.475962D+00  0.163099D+02
      5   0.745752D+01  0.226609D+02  0.567890D+01  0.131702D+02 -0.794032D+00
      6   0.155823D+02  0.202742D+02  0.122015D+02  0.637865D+01  0.336060D+01
                76            77            78            79            80 
      1   0.127930D+02 -0.373182D+02 -0.921861D+01  0.386412D+00  0.459372D+01
      2  -0.591977D+01  0.546567D+02 -0.838011D+00 -0.192888D+00  0.500661D+00
      3  -0.687320D+01 -0.173384D+02  0.100566D+02 -0.193524D+00 -0.509438D+01
      4   0.657154D+01  0.246027D+02  0.450468D+01  0.781701D+01  0.761381D+01
      5   0.183045D+01  0.571842D+01  0.465977D+01 -0.219742D+01  0.224683D+01
      6   0.248475D+01  0.236770D+02  0.108955D+02  0.646864D+01  0.913614D+01
                81            82            83            84            85 
      1  -0.863936D+01  0.880444D+01  0.186043D+02 -0.948212D-01  0.125834D+02
      2   0.110751D+02 -0.144726D+02 -0.418839D+02 -0.647947D+01 -0.248717D+02
      3  -0.243576D+01  0.566818D+01  0.232796D+02  0.657429D+01  0.122882D+02
      4  -0.196224D+01 -0.960707D+00 -0.228322D+02 -0.133354D+02 -0.147528D+02
      5   0.497470D+01  0.712113D+00 -0.788735D+01 -0.465683D+01 -0.361061D+01
      6  -0.282895D+00 -0.165330D+02 -0.855928D+01  0.149160D+02 -0.310639D+01
                86            87            88            89            90 
      1   0.311069D+02  0.620602D+01 -0.189194D+01 -0.586307D+01  0.424088D+01
      2  -0.607762D+02 -0.120634D+02 -0.164869D+01  0.608758D+01 -0.454786D+01
      3   0.296693D+02  0.585733D+01  0.354063D+01 -0.224515D+00  0.306974D+00
      4  -0.385819D+02 -0.203141D+01 -0.914262D+01 -0.144843D+01  0.101282D+02
      5  -0.216246D+01 -0.258014D+00 -0.417406D+01  0.175815D+01  0.302750D+01
      6  -0.242810D+02 -0.481943D+01  0.173161D+02 -0.107227D+02 -0.276450D+00
                91            92            93            94            95 
      1   0.831198D+01 -0.195106D+02  0.120054D+01 -0.129406D+02  0.332374D+02
      2  -0.131750D+02  0.416653D+02 -0.786942D+01  0.234121D+02 -0.607385D+02
      3   0.486305D+01 -0.221547D+02  0.666888D+01 -0.104715D+02  0.275011D+02
      4  -0.750321D+00 -0.207828D+02  0.131780D+02 -0.126458D+02  0.363201D+02
      5   0.139311D+01  0.774505D+01 -0.516633D+01  0.333326D+01 -0.267031D+01
      6   0.163329D+02 -0.930581D+01 -0.143191D+02 -0.403615D+01  0.256040D+02
                96            97            98            99           100 
      1  -0.719758D+01  0.196694D+00  0.514834D+01  0.393795D+01 -0.993110D+01
      2   0.133472D+02 -0.399401D+01 -0.504032D+01 -0.445276D+01  0.138225D+02
      3  -0.614961D+01  0.379731D+01 -0.108023D+00  0.514811D+00 -0.389137D+01
      4  -0.312742D+01  0.849082D+01 -0.288102D+01 -0.999069D+01  0.143298D+02
      5   0.496330D+00 -0.458090D+01 -0.170252D+01  0.355448D+01  0.340106D+01
      6  -0.549403D+01 -0.167017D+02 -0.108766D+02  0.362982D+00 -0.119375D+02
               101           102           103           104           105 
      1   0.538350D+01 -0.304514D+01 -0.891114D+01 -0.391540D+02  0.918425D+01
      2   0.669566D+01  0.268858D+01  0.492757D+01  0.537876D+02  0.167272D+00
      3  -0.120792D+02  0.356560D+00  0.398357D+01 -0.146336D+02 -0.935152D+01
      4  -0.257429D+01 -0.150936D+02  0.396790D+01 -0.196384D+02  0.423229D+01
      5  -0.119235D+02  0.513898D+00 -0.920965D+00  0.487548D+01 -0.324066D+01
      6   0.508975D+01 -0.371653D+01  0.873653D+00 -0.241243D+02  0.986951D+01
               106           107           108           109           110 
      1  -0.229394D+01 -0.276290D+01 -0.955901D+01  0.196681D+02 -0.131108D+02
      2   0.838598D+00 -0.112167D+01  0.887526D+01 -0.141072D+02 -0.122164D+02
      3   0.145534D+01  0.388457D+01  0.683759D+00 -0.556091D+01  0.253272D+02
      4  -0.672842D+01  0.676511D+01  0.147026D+01 -0.359740D+02  0.188525D+02
      5  -0.144029D+01 -0.231605D+01  0.414133D+01  0.442687D+01  0.455448D+01
      6  -0.656375D+01  0.971342D+01 -0.159176D+01  0.716928D+01  0.689352D+01
               111           112           113           114           115 
      1  -0.284688D+01 -0.482689D+02  0.139159D+02  0.757943D+01 -0.331011D+02
      2  -0.157982D+00  0.779032D+01 -0.146524D+02 -0.863899D+00  0.475594D+01
      3   0.300486D+01  0.404785D+02  0.736483D+00 -0.671553D+01  0.283452D+02
      4   0.790045D+01  0.263823D+02 -0.185171D+02 -0.231926D+01  0.962821D+01
      5   0.448853D+01 -0.192940D+01 -0.279099D+01 -0.125772D+01  0.151189D+02
      6   0.185116D+01 -0.132030D+01  0.279921D+01  0.602763D+01 -0.264727D+01
               116           117           118           119           120 
      1  -0.325168D+01  0.589557D+01  0.691573D+02  0.156649D+02  0.145251D+02
      2   0.112237D+02  0.106884D+01 -0.397976D+02 -0.144143D+02 -0.184264D+02
      3  -0.797205D+01 -0.696441D+01 -0.293597D+02 -0.125062D+01  0.390132D+01
      4  -0.132394D+02 -0.109925D+02  0.274154D+02  0.130387D+02  0.666603D+01
      5  -0.684642D+01 -0.549815D+01  0.379522D+02  0.711343D+01  0.181496D+02
      6   0.443770D+01  0.170142D+01  0.694915D+01  0.685263D+01  0.645433D+01
               121           122           123           124           125 
      1   0.432497D+02  0.566297D+01 -0.120014D+02  0.272610D+02 -0.104810D+02
      2  -0.838561D+01  0.719333D+01  0.651685D+01 -0.548788D+01  0.868989D+01
      3  -0.348641D+02 -0.128563D+02  0.548457D+01 -0.217732D+02  0.179116D+01
      4   0.344512D+01  0.134574D+02  0.607176D+01 -0.176400D+02  0.383394D+01
      5  -0.897536D+01  0.668172D+01  0.576208D+00  0.422728D+01  0.210246D+01
      6   0.832853D+01  0.859499D+00 -0.306981D+00 -0.324643D+01  0.992279D-01
               126           127           128           129           130 
      1  -0.423201D+01 -0.352864D+01 -0.113495D+02 -0.270001D+02  0.245156D+01
      2  -0.280849D+01 -0.492191D+01  0.111805D+02 -0.101212D+02  0.497185D+01
      3   0.704050D+01  0.845055D+01  0.169014D+00  0.371213D+02 -0.742341D+01
      4   0.557831D+01 -0.216457D+02 -0.192987D+01 -0.430704D+00  0.438406D+01
      5   0.632041D+01  0.705530D+00 -0.857356D+00  0.194881D+02  0.105911D+01
      6  -0.629663D+01  0.260728D+01  0.969809D+00 -0.762162D+01  0.156294D+00
               131           132           133           134           135 
      1  -0.192400D+01 -0.388972D+01  0.710030D+01  0.161876D+02 -0.567391D+01
      2   0.818423D+01 -0.123844D+01 -0.261517D+02 -0.100861D+02 -0.297930D+02
      3  -0.626023D+01  0.512815D+01  0.190514D+02 -0.610151D+01  0.354669D+02
      4  -0.218099D+01 -0.127396D+01  0.112533D+02  0.256847D+01 -0.999826D+00
      5  -0.750662D+00 -0.868346D+01  0.274087D+02  0.365578D-01  0.338023D+02
      6  -0.423307D+01 -0.937830D+01  0.482763D+01 -0.510534D+01 -0.159308D+01
               136           137           138           139           140 
      1  -0.295710D+01  0.580197D+01  0.805516D+01  0.449281D+01  0.959492D+01
      2   0.611411D+01  0.158160D+01 -0.878917D+01 -0.143345D+01 -0.185574D+02
      3  -0.315701D+01 -0.738357D+01  0.734007D+00 -0.305935D+01  0.896250D+01
      4   0.179176D+01  0.100087D+02  0.358744D+01  0.788728D+01 -0.242632D+01
      5   0.576158D+01  0.274173D+01  0.307111D+01  0.474110D+00  0.114668D+01
      6   0.548974D+00 -0.132302D+01 -0.120105D+02  0.368057D+01 -0.439764D+01
               141           142           143           144           145 
      1   0.276436D+02 -0.827757D+00  0.232478D+02 -0.213411D+02 -0.210985D+02
      2   0.614279D+01 -0.535663D+01 -0.120956D+02 -0.148012D+02  0.693906D+00
      3  -0.337864D+02  0.618438D+01 -0.111522D+02  0.361424D+02  0.204045D+02
      4   0.293421D+00  0.640452D+01  0.743947D+01 -0.612019D+01  0.240236D+02
      5  -0.145912D+02 -0.219846D+00 -0.608841D+01  0.207149D+02  0.144539D+01
      6   0.169307D+02 -0.314349D+01  0.152948D+02 -0.191004D+02 -0.525853D+00
               146           147           148           149           150 
      1   0.490489D+01  0.110705D+02  0.136652D+02 -0.202711D+02  0.633019D+01
      2   0.160240D+02 -0.602872D+01  0.183220D+02 -0.123895D+02 -0.361863D+01
      3  -0.209289D+02 -0.504179D+01 -0.319872D+02  0.326605D+02 -0.271156D+01
      4  -0.306843D+02  0.610925D+01 -0.577810D+02  0.489207D+02  0.697941D-01
      5   0.103622D+02  0.435097D+01  0.100526D+02 -0.166066D+01  0.444208D+01
      6  -0.641282D+01 -0.773206D+01  0.474495D+00  0.314775D+00 -0.695399D+01
               151           152           153           154           155 
      1   0.144888D+02  0.189328D+02  0.147816D+02 -0.562548D+01  0.215293D+02
      2  -0.130626D+02 -0.244871D+01 -0.765658D+01  0.456511D+01 -0.194947D+02
      3  -0.142620D+01 -0.164841D+02 -0.712503D+01  0.106037D+01 -0.203461D+01
      4   0.165728D+02 -0.110098D+02  0.741543D+01  0.286329D+02 -0.284550D+01
      5   0.176261D+01  0.937196D+01  0.479857D+01  0.292829D+02 -0.325318D+02
      6  -0.333585D+01 -0.897228D+01 -0.933331D+01 -0.102204D+02  0.307782D+01
               156           157           158           159           160 
      1   0.191179D+02  0.287620D+02  0.543571D+01 -0.393967D+02  0.177003D+02
      2  -0.956699D+01 -0.238324D+02  0.212919D+01  0.180087D+02 -0.791620D+01
      3  -0.955095D+01 -0.492959D+01 -0.756490D+01  0.213880D+02 -0.978411D+01
      4  -0.321636D+02 -0.338571D+01 -0.202139D+01  0.176021D+02 -0.395531D+02
      5  -0.212909D+02 -0.449439D+02  0.148737D+02  0.128457D+00 -0.220099D+02
      6   0.913455D+01  0.618254D+01 -0.118493D+01 -0.535856D+01  0.108005D+02
               161           162           163           164           165 
      1  -0.355279D+02 -0.141181D+02 -0.545031D+02 -0.314523D+02 -0.450964D+01
      2   0.143662D+02  0.106216D+02  0.233683D+02  0.147611D+02  0.438234D+01
      3   0.211618D+02  0.349648D+01  0.311347D+02  0.166912D+02  0.127298D+00
      4   0.169321D+02 -0.130674D+01 -0.356766D+02 -0.206752D+02  0.302901D+02
      5  -0.158100D+01  0.185413D+02 -0.368057D+01  0.297454D+02  0.663296D+00
      6  -0.422861D+01 -0.108420D+01  0.749368D+01  0.648229D+00  0.270837D+01
               166           167           168           169           170 
      1  -0.502789D+02 -0.298975D+02  0.424151D+02 -0.254506D+01  0.419658D+02
      2   0.228900D+02  0.147658D+02 -0.214477D+02  0.218533D+01 -0.224539D+02
      3   0.273889D+02  0.151316D+02 -0.209674D+02  0.359723D+00 -0.195119D+02
      4  -0.362314D+02  0.322778D+01 -0.989749D+01  0.465451D+02 -0.747371D+01
      5   0.457708D+02 -0.101496D+02  0.205414D+02 -0.102871D+02  0.191749D+02
      6  -0.284273D+01  0.439540D+01 -0.295983D+01  0.364239D+01 -0.292964D+01
               171           172           173           174           175 
      1  -0.603245D+01 -0.202587D+02  0.334237D+01  0.303813D+01 -0.374699D+01
      2   0.283470D+01  0.135806D+02  0.150369D+01 -0.126206D+01 -0.177289D+01
      3   0.319776D+01  0.667802D+01 -0.484607D+01 -0.177607D+01  0.551989D+01
      4   0.183125D+02 -0.237154D+01 -0.611691D+01 -0.196367D+02 -0.230799D+02
      5  -0.702216D+01 -0.101597D+02 -0.201374D+02 -0.215616D+02 -0.268717D+02
      6   0.470185D+01 -0.596656D+01 -0.678359D+01 -0.700560D+01 -0.884094D+01
               176           177           178           179           180 
      1  -0.530529D+01 -0.207113D+02  0.116287D+02 -0.160592D+02 -0.969616D+01
      2  -0.368854D+01  0.175454D+02  0.316807D+01  0.187748D+02  0.878129D+01
      3   0.899382D+01  0.316592D+01 -0.147968D+02 -0.271560D+01  0.914864D+00
      4  -0.256338D+02 -0.149291D+01 -0.207534D+02  0.241008D+01 -0.272118D+02
      5  -0.135984D+01 -0.191327D+02 -0.322463D+02 -0.287136D+02 -0.321909D+02
      6  -0.287756D+01 -0.734437D+01 -0.144281D+02 -0.987275D+01 -0.142027D+02
               181           182           183           184           185 
      1  -0.618198D+02  0.912874D+00 -0.146815D+02  0.177974D+01  0.138979D+02
      2   0.427107D+02 -0.566479D+00  0.300206D+02 -0.223351D+00 -0.192664D+02
      3   0.191091D+02 -0.346395D+00 -0.153391D+02 -0.155639D+01  0.536845D+01
      4   0.101894D+01 -0.156690D+02  0.395983D+00 -0.141095D+02 -0.183355D+01
      5  -0.351942D+02  0.344229D+00 -0.358120D+02 -0.461345D+00 -0.658363D+01
      6  -0.280990D-01 -0.595593D+00 -0.905711D+00 -0.889003D+01 -0.146961D-01
               186           187           188           189           190 
      1   0.150987D+00 -0.222561D+02  0.251557D+00  0.163991D+02  0.295679D+02
      2  -0.103880D+01  0.368359D+02  0.195249D+00  0.200674D+02 -0.112499D+02
      3   0.887809D+00 -0.145798D+02 -0.446805D+00 -0.364665D+02 -0.183180D+02
      4  -0.418362D+01  0.162487D+01 -0.105358D+02 -0.700905D+00 -0.250228D+02
      5  -0.132606D+01 -0.245596D+02  0.181545D+00 -0.314967D+02 -0.143318D+02
      6  -0.212481D+02 -0.561468D+00 -0.851783D+01 -0.135784D-01  0.118534D+02
               191           192           193           194           195 
      1  -0.128412D+01 -0.158250D+01 -0.168571D+01 -0.494437D+02 -0.182572D+02
      2  -0.592329D+01  0.271362D+01 -0.105853D+02  0.790563D+02  0.164750D+02
      3   0.720740D+01 -0.113112D+01  0.122710D+02 -0.296126D+02  0.178216D+01
      4   0.277099D+02  0.117418D+02  0.265574D+02 -0.297025D+02 -0.112544D+02
      5   0.113663D+02  0.203693D+02  0.367356D+01 -0.126285D+02 -0.687019D+01
      6  -0.523656D+01 -0.810211D+01 -0.926041D+01  0.351187D+02  0.323969D+02
               196           197           198           199           200 
      1   0.495324D+00 -0.192797D+02 -0.263322D+02  0.328765D+02 -0.654485D-01
      2   0.507546D+01  0.841788D+01 -0.258567D+01 -0.158740D+02  0.713131D+01
      3  -0.557079D+01  0.108619D+02  0.289179D+02 -0.170025D+02 -0.706586D+01
      4   0.791966D+01 -0.687279D+01 -0.136630D+02  0.230840D+02  0.252557D+02
      5   0.211736D+02 -0.133617D+02 -0.191487D+02 -0.176280D+02 -0.106051D+02
      6  -0.133070D+02  0.350090D+02  0.368931D+02 -0.111343D+02 -0.617539D+01
               201           202           203           204           205 
      1  -0.160242D+01 -0.239788D+01 -0.418670D+02  0.187930D+02  0.153894D+01
      2   0.456583D+01  0.117972D+02  0.644664D+02 -0.158817D+02  0.636190D+01
      3  -0.296340D+01 -0.939931D+01 -0.225993D+02 -0.291130D+01 -0.790084D+01
      4  -0.113172D+02  0.261475D+02  0.301641D+02 -0.136217D+02 -0.779040D+01
      5   0.243293D+02 -0.426168D+01 -0.148819D+02  0.845549D+01  0.248637D+02
      6   0.873353D+01 -0.113975D+02 -0.359543D+02  0.327629D+02  0.142886D+02
               206           207           208           209           210 
      1   0.209473D+02 -0.279729D+02 -0.741627D+01  0.642735D+01  0.185363D+02
      2  -0.918432D+01 -0.885702D+01 -0.769836D+01  0.121615D+01  0.103008D+02
      3  -0.117629D+02  0.368299D+02  0.151146D+02 -0.764349D+01 -0.288372D+02
      4  -0.857649D+01  0.145499D+02 -0.357715D+01  0.169805D+01  0.311662D+01
      5   0.140847D+02 -0.253775D+02 -0.105802D+02  0.302120D+01  0.109789D+02
      6   0.331375D+02 -0.384625D+02  0.818620D+01 -0.718430D+01 -0.139177D+02
               211           212           213           214           215 
      1   0.297332D+01 -0.341212D+01 -0.613299D+00  0.968293D+01 -0.229550D+01
      2  -0.106669D+01  0.468623D+00  0.289645D+01  0.465559D+01 -0.855118D+00
      3  -0.190663D+01  0.294349D+01 -0.228315D+01 -0.143385D+02  0.315062D+01
      4   0.120879D+01 -0.188032D+01 -0.124171D+01  0.150692D+01 -0.178190D+01
      5   0.258560D+01 -0.255583D+01 -0.352857D+01  0.823393D+01 -0.262173D+01
      6  -0.399866D+01  0.439173D+01  0.494853D+01 -0.508139D+01  0.472711D+01
               216           217           218           219           220 
      1  -0.166164D+02  0.192618D+00 -0.175782D+01  0.482966D+01  0.174020D+01
      2  -0.112818D+02 -0.612121D-01 -0.906000D+00  0.366656D+01  0.298342D+01
      3   0.278982D+02 -0.131406D+00  0.266382D+01 -0.849622D+01 -0.472362D+01
      4  -0.261505D+01 -0.227496D+01  0.180053D+01 -0.171464D+01  0.517619D+01
      5  -0.114894D+02  0.107630D+01 -0.260429D+01  0.130544D+01 -0.824407D+01
      6   0.773371D+01 -0.285163D+01  0.123821D+01  0.589187D+00  0.625866D+01
               221           222           223           224           225 
      1  -0.155471D+02  0.186600D+02  0.230611D+00  0.119729D+02 -0.206283D+02
      2   0.408421D+00  0.576271D+01 -0.703227D+00  0.234128D+01 -0.636229D+01
      3   0.151386D+02 -0.244228D+02  0.472616D+00 -0.143142D+02  0.269906D+02
      4  -0.103912D+02  0.106658D+02 -0.266244D+01  0.429422D+01 -0.598160D+01
      5   0.121560D+02 -0.168868D+02  0.302178D+01 -0.722604D+01  0.107266D+02
      6  -0.222282D+02  0.251484D+02 -0.230110D+01  0.156099D+02 -0.207727D+02
               226           227           228           229           230 
      1  -0.975033D+00  0.358586D+00 -0.744322D+01 -0.111123D+02 -0.549656D+01
      2  -0.199911D+01 -0.503985D+00  0.151348D+01  0.808398D+01  0.562656D+01
      3   0.297414D+01  0.145399D+00  0.592975D+01  0.302837D+01 -0.129991D+00
      4  -0.377218D+01 -0.118471D+01 -0.397486D+00 -0.634479D+00  0.481059D+01
      5  -0.239216D+01  0.178827D+01 -0.111530D+01  0.143954D+01 -0.323660D+01
      6  -0.116927D+00  0.106868D+01 -0.321094D+01 -0.407048D+00 -0.280952D+01
               231           232           233           234           235 
      1   0.129717D+01 -0.199426D+02  0.463619D+00 -0.134814D+02  0.590261D+00
      2  -0.508826D+01  0.105833D+02 -0.163772D+00 -0.110182D+02  0.603126D+01
      3   0.379109D+01  0.935934D+01 -0.299846D+00  0.244996D+02 -0.662152D+01
      4  -0.413686D+01 -0.105141D+02 -0.656853D+01  0.390596D+01  0.879765D+01
      5  -0.311429D+01  0.116200D+02  0.593398D+01 -0.287435D+02 -0.663685D-01
      6   0.186496D+01  0.223230D+01  0.668930D+01 -0.156434D+02  0.226995D+00
               236           237           238           239           240 
      1   0.470861D+01  0.982205D+00  0.947214D+01 -0.242235D+02  0.742295D+00
      2   0.575025D+00 -0.100068D+01  0.534827D+01  0.523465D+02 -0.449270D+01
      3  -0.528363D+01  0.184793D-01 -0.148204D+02 -0.281231D+02  0.375041D+01
      4   0.124161D+02 -0.454694D+00  0.235375D+02  0.583021D+02 -0.848019D+01
      5  -0.805487D+00 -0.422942D+00 -0.604403D+01 -0.493494D+01  0.487395D+01
      6  -0.119859D+01 -0.325737D+00 -0.456004D+01 -0.122219D+02  0.682938D+01
               241           242           243           244           245 
      1   0.137474D+01  0.220676D+00 -0.526216D+01  0.547990D+02  0.185084D+02
      2  -0.748845D+00  0.175650D+01  0.382339D+01 -0.323489D+02 -0.952521D+01
      3  -0.625893D+00 -0.197718D+01  0.143877D+01 -0.224501D+02 -0.898323D+01
      4   0.251263D+00  0.416560D+00  0.553230D+01  0.305574D+02  0.175155D+02
      5   0.163018D+01  0.598253D+01 -0.219221D+01 -0.427581D+02 -0.129203D+02
      6   0.134367D+01  0.753208D+01 -0.223803D+01 -0.989018D+01 -0.479645D+01
               246           247           248           249           250 
      1  -0.282940D+02  0.189885D+02  0.109817D+02 -0.622547D+01 -0.455776D+02
      2   0.190941D+02 -0.810866D+01 -0.490193D+01  0.292355D+01  0.327474D+02
      3   0.919989D+01 -0.108799D+02 -0.607974D+01  0.330192D+01  0.128302D+02
      4  -0.150617D+02  0.243503D+02  0.152421D+02 -0.158602D+02 -0.264889D+02
      5   0.325575D+02 -0.147339D+02 -0.152884D+02  0.150102D+02  0.576883D+02
      6   0.749145D+01 -0.773545D+01 -0.671690D+01  0.895302D+01  0.145520D+02
               251           252           253           254           255 
      1  -0.107052D+02  0.310300D+02  0.439876D+02  0.179155D+02  0.177383D+02
      2   0.726459D+01 -0.278555D+02 -0.198756D+02 -0.697937D+01 -0.793802D+01
      3   0.344062D+01 -0.317449D+01 -0.241120D+02 -0.109362D+02 -0.980027D+01
      4  -0.201592D+02  0.269074D+02  0.271605D+02  0.171783D+02  0.956898D+01
      5   0.237104D+02 -0.536226D+02  0.202500D+02  0.682844D+01  0.183581D+02
      6   0.101612D+02 -0.148504D+02  0.494055D+01  0.210425D+01  0.449762D+01
               256           257           258           259           260 
      1   0.230854D+02  0.123770D+02  0.454946D+01  0.406952D+02  0.122355D+02
      2  -0.780524D+01 -0.137059D+01  0.949516D+00 -0.179994D+02 -0.261721D+01
      3  -0.152802D+02 -0.110064D+02 -0.549897D+01 -0.226958D+02 -0.961825D+01
      4   0.246156D+02  0.186916D+02  0.129764D+02  0.240974D+02  0.223265D+02
      5   0.753903D+01  0.117029D+02  0.115902D+02  0.331471D+02  0.184396D+02
      6   0.381850D+01  0.503611D+01  0.587364D+01  0.983182D+01  0.634649D+01
               261           262           263           264           265 
      1   0.240229D+02 -0.164927D+02 -0.115958D+02 -0.950609D+01 -0.159977D+02
      2  -0.118575D+02  0.873696D+01  0.497905D+01  0.296476D+01  0.831778D+01
      3  -0.121655D+02  0.775574D+01  0.661677D+01  0.654132D+01  0.767992D+01
      4   0.217363D+02 -0.769544D+01 -0.259748D+01 -0.160983D+00  0.411151D+01
      5   0.309359D+02 -0.526432D+01 -0.395764D+00 -0.892533D+01  0.229955D+01
      6   0.897662D+01  0.416354D+01  0.106839D+01  0.299956D+01  0.145560D+01
               266           267           268           269           270 
      1  -0.404900D+01 -0.215327D+01 -0.154240D+02 -0.690129D+01 -0.147283D+02
      2   0.225996D+01  0.122677D+01  0.679437D+01  0.164244D+01 -0.188823D+01
      3   0.178904D+01  0.926502D+00  0.862967D+01  0.525885D+01  0.166166D+02
      4  -0.596794D+01 -0.727867D+01  0.685599D+00 -0.128706D+02 -0.110521D+02
      5  -0.713804D+01 -0.954263D+01  0.836271D+00 -0.121322D+02 -0.284960D+02
      6   0.437383D+01  0.665907D+01  0.767615D+00  0.734460D+01  0.103806D+02
               271           272           273           274           275 
      1   0.141271D+03 -0.417397D+02 -0.151769D+02 -0.396644D+02  0.259525D+02
      2  -0.683339D+02  0.180071D+02  0.842607D+01  0.148133D+02 -0.844526D+01
      3  -0.729366D+02  0.237326D+02  0.675082D+01  0.248511D+02 -0.175072D+02
      4  -0.571045D+02  0.314414D+02  0.569165D+01  0.380320D+02 -0.229743D+02
      5  -0.223329D+02  0.605779D+01  0.120852D+02  0.746002D+01 -0.462634D+01
      6   0.717108D+01 -0.382709D+01 -0.266659D+01 -0.447084D+01  0.277858D+01
               276           277           278           279           280 
      1   0.420196D+01 -0.446117D+01  0.114955D+01  0.111595D+02  0.675334D+02
      2  -0.209885D+01  0.327792D+01 -0.149555D+01 -0.642774D+01 -0.436650D+02
      3  -0.210311D+01  0.118326D+01  0.345999D+00 -0.473176D+01 -0.238684D+02
      4  -0.428677D+01  0.276950D+01 -0.148745D+01 -0.853751D+01 -0.183753D+02
      5  -0.654115D+01  0.166507D+02 -0.861325D+01 -0.429811D+01  0.517482D+02
      6   0.283430D+01 -0.378681D+01  0.293043D+01  0.182908D+01 -0.957421D+01
               281           282           283           284           285 
      1  -0.813448D+01  0.279033D+02  0.618032D+01  0.477893D+01 -0.526526D-01
      2   0.484881D+01 -0.207265D+02 -0.671514D+01 -0.103341D+01 -0.281042D+01
      3   0.328567D+01 -0.717674D+01  0.534821D+00 -0.374552D+01  0.286307D+01
      4   0.989618D+01 -0.106433D+02  0.126384D+02 -0.780216D+01  0.776661D+01
      5  -0.994798D+01  0.385435D+02 -0.558408D-01  0.895653D+01  0.277986D+01
      6   0.421207D+01 -0.797688D+01  0.436132D+01 -0.231542D+01  0.418711D+01
               286           287           288           289           290 
      1   0.465079D+02 -0.108377D+02  0.249641D+02 -0.200239D+01 -0.912739D+01
      2  -0.358220D+02  0.704816D+01 -0.280035D+02  0.283394D+01  0.641313D+01
      3  -0.106859D+02  0.378953D+01  0.303944D+01 -0.831550D+00  0.271426D+01
      4  -0.219469D+02  0.105052D+02 -0.125836D+02 -0.629603D+01  0.860773D+00
      5   0.578023D+02 -0.125082D+02  0.532772D+02  0.300288D+01  0.538103D-01
      6  -0.135443D+02  0.709089D+01 -0.115908D+02  0.151234D+00 -0.265778D+01
               291           292           293           294           295 
      1   0.293546D+01 -0.152751D+02 -0.148027D+02  0.202691D+01  0.127627D+01
      2  -0.196347D+01  0.115259D+00  0.349639D+02 -0.311600D+01 -0.260296D+01
      3  -0.971987D+00  0.151599D+02 -0.201612D+02  0.108909D+01  0.132669D+01
      4   0.402231D+00  0.208771D+02 -0.538775D+02  0.715029D+01 -0.223109D+01
      5   0.335926D+01 -0.401661D+01  0.949081D+01 -0.739339D+01  0.104482D+02
      6  -0.322247D-01  0.386059D+01 -0.120393D+02  0.650400D+01 -0.208175D+01
               296           297           298           299           300 
      1   0.600082D-01  0.294180D+01 -0.514030D+01 -0.227644D+02 -0.453851D+01
      2   0.153690D+01 -0.795726D+00  0.179168D+02  0.476387D+02  0.701468D+01
      3  -0.159691D+01 -0.214607D+01 -0.127765D+02 -0.248743D+02 -0.247616D+01
      4  -0.104193D+01 -0.541286D+01  0.222850D+02  0.339330D+02  0.778126D+01
      5  -0.568654D+01  0.284402D+01  0.481720D+01  0.542978D+01  0.476563D+01
      6   0.497943D+01 -0.238051D+01  0.947774D+01  0.157275D+02  0.624246D+01
               301           302           303           304           305 
      1  -0.116344D+02 -0.469525D+02 -0.831647D+01 -0.148409D+01 -0.396001D+01
      2   0.245966D+02  0.885260D+02  0.135525D+02  0.204836D+01  0.341688D+01
      3  -0.129622D+02 -0.415735D+02 -0.523607D+01 -0.564267D+00  0.543128D+00
      4   0.203364D+02  0.390219D+02  0.638539D+01  0.391362D+01  0.447497D+01
      5   0.321776D+01  0.544076D+01  0.227409D+01  0.415596D+01  0.367090D+01
      6   0.774786D+01  0.259441D+02  0.121005D+02  0.393634D+01  0.164911D+02
               306           307           308           309           310 
      1  -0.710148D+01 -0.369807D+00  0.768871D+01  0.487174D+01  0.325184D+01
      2   0.961211D+01  0.242233D+01 -0.846550D+01 -0.335384D+01 -0.374005D+01
      3  -0.251063D+01 -0.205252D+01  0.776790D+00 -0.151789D+01  0.488209D+00
      4   0.524293D+01 -0.149280D+02  0.111343D+02  0.943378D+01  0.643315D+01
      5   0.277502D+01 -0.767928D+01  0.480843D+01  0.581003D+01  0.161844D+01
      6   0.666577D+01  0.133672D+02 -0.106628D+02 -0.153155D+02 -0.483413D+01
               311           312           313           314           315 
      1  -0.807679D+01 -0.578215D+01  0.448996D+01 -0.111696D+02 -0.102613D+02
      2   0.120778D+02  0.830639D+01 -0.176926D+01  0.113280D+02  0.312287D+01
      3  -0.400096D+01 -0.252424D+01 -0.272070D+01 -0.158347D+00  0.713839D+01
      4  -0.482874D+01 -0.311559D+01  0.933167D+01 -0.485700D+01 -0.855104D+01
      5  -0.246157D+01 -0.195529D+01  0.589378D+01 -0.342498D+01 -0.579506D+01
      6   0.120011D+02  0.931553D+01 -0.121991D+02  0.158736D+02  0.211974D+02
               316           317           318           319           320 
      1  -0.169844D+00 -0.681146D+01  0.478163D+01 -0.256957D+01 -0.740801D+01
      2   0.198113D+01  0.727991D+01 -0.272146D+01  0.304923D+01  0.109197D+02
      3  -0.181128D+01 -0.468457D+00 -0.206016D+01 -0.479654D+00 -0.351165D+01
      4   0.150833D+02  0.108703D+02 -0.996503D+01  0.596497D+01  0.453716D+01
      5  -0.826967D+01 -0.518931D+01  0.659760D+01 -0.158983D+01 -0.246498D+01
      6  -0.136022D+02 -0.105458D+02  0.158564D+02 -0.451573D+01 -0.112408D+02
               321           322           323           324           325 
      1   0.539088D+01  0.456378D+01  0.103390D+02 -0.988332D+01 -0.527088D+01
      2  -0.790546D+01 -0.168775D+01 -0.101986D+02  0.229193D+01  0.167071D+02
      3   0.251458D+01 -0.287603D+01 -0.140415D+00  0.759139D+01 -0.114362D+02
      4  -0.298616D+01 -0.929042D+01 -0.514914D+01  0.887174D+01 -0.204952D+02
      5   0.190245D+01  0.635015D+01  0.379499D+01 -0.663791D+01  0.482319D+01
      6   0.870022D+01  0.122551D+02  0.153812D+02 -0.211345D+02 -0.956161D+01
               326           327           328           329           330 
      1   0.235910D+02 -0.504601D+01  0.112258D+02 -0.482688D+02  0.909770D+01
      2  -0.470773D+02  0.761985D+01 -0.229076D+02  0.884936D+02 -0.146116D+02
      3   0.234863D+02 -0.257385D+01  0.116819D+02 -0.402248D+02  0.551387D+01
      4   0.322121D+02 -0.800483D+01  0.188829D+02 -0.364409D+02  0.660643D+01
      5  -0.562889D+01  0.478059D+01 -0.339775D+01  0.552360D+01 -0.224263D+01
      6   0.165332D+02 -0.667673D+01  0.787635D+01 -0.276608D+02  0.127108D+02
               331           332           333           334           335 
      1  -0.182644D+01  0.509495D+01 -0.758009D+01 -0.707520D+01 -0.576302D+01
      2   0.254674D+01 -0.484449D+01  0.986423D+01 -0.795737D+01 -0.848367D+00
      3  -0.720302D+00 -0.250457D+00 -0.228414D+01  0.150326D+02  0.661139D+01
      4  -0.400509D+01  0.507523D+01 -0.509929D+01  0.399265D+01  0.201716D+01
      5   0.407110D+01 -0.362365D+01  0.280638D+01 -0.124173D+02 -0.323815D+01
      6  -0.392193D+01  0.170244D+02 -0.739529D+01 -0.795595D+01 -0.658014D+01
               336           337           338           339           340 
      1   0.171871D+02 -0.234967D+01 -0.262164D+01 -0.215513D+00  0.900973D+01
      2   0.105793D+02  0.125423D+01  0.589603D-01 -0.322073D+01  0.518358D+01
      3  -0.277664D+02  0.109544D+01  0.256268D+01  0.343624D+01 -0.141933D+02
      4  -0.334363D+01  0.171020D+01  0.188215D+01 -0.136876D+01 -0.191386D+01
      5   0.124438D+02 -0.220506D+01 -0.275832D+01  0.291368D+01  0.897657D+01
      6   0.126262D+02 -0.389524D+01 -0.374635D+01  0.431816D+01  0.480232D+01
               341           342           343           344           345 
      1   0.148261D+01 -0.147498D+02 -0.722287D+00  0.185476D+01  0.502940D+01
      2   0.881750D+00 -0.107146D+02  0.634343D-01  0.110141D+01  0.359273D+01
      3  -0.236436D+01  0.254645D+02  0.658853D+00 -0.295617D+01 -0.862212D+01
      4  -0.180885D+01  0.269502D+01  0.255155D+01  0.183244D+01  0.203480D+01
      5   0.260848D+01 -0.121738D+02  0.139336D+01  0.311750D+01  0.183115D+01
      6   0.418193D+01 -0.629597D+01  0.346672D+01  0.114781D+01 -0.704311D+00
               346           347           348           349           350 
      1  -0.118207D+01 -0.161400D+02 -0.194654D+02  0.287026D+00 -0.122716D+02
      2  -0.306872D+01  0.682087D+00 -0.556922D+01 -0.467587D+00 -0.181119D+01
      3   0.425080D+01  0.154579D+02  0.250346D+02  0.180560D+00  0.140828D+02
      4   0.449982D+01  0.971688D+01  0.985831D+01  0.294562D+01  0.372662D+01
      5   0.770293D+01  0.111008D+02  0.159105D+02  0.282165D+01  0.686781D+01
      6   0.548624D+01  0.222796D+02  0.251594D+02  0.239937D+01  0.158878D+02
               351           352           353           354           355 
      1  -0.205977D+02  0.285932D+02 -0.132801D+02 -0.798295D+00 -0.183057D+02
      2  -0.548352D+01 -0.421769D+00 -0.797637D+01  0.170241D+01 -0.137193D+02
      3   0.260812D+02 -0.281714D+02  0.212565D+02 -0.904115D+00  0.320249D+02
      4   0.565654D+01 -0.376087D+02  0.354299D+02 -0.299769D+01  0.530476D+02
      5   0.903625D+01  0.431036D+00 -0.423999D+01  0.465152D+01  0.116459D+01
      6   0.207224D+02 -0.212957D+01  0.895112D+00 -0.952769D+00 -0.934860D+00
               356           357           358           359           360 
      1   0.500879D+01  0.293927D+01  0.876427D+01 -0.352291D+01 -0.289431D+01
      2   0.334599D+02 -0.339214D+01  0.187540D+01 -0.840133D+01  0.399975D+01
      3  -0.384686D+02  0.452867D+00 -0.106397D+02  0.119242D+02 -0.110544D+01
      4  -0.664198D+02  0.104460D+01 -0.177957D+02  0.189553D+02 -0.885503D+01
      5   0.424509D+01 -0.738003D+01  0.585635D+01 -0.944427D+01  0.494243D+01
      6  -0.102602D+01  0.630917D+01 -0.377079D+01  0.881158D+01 -0.280361D+01
               361           362           363           364           365 
      1  -0.138122D+02 -0.759158D+01 -0.832783D+01 -0.716714D+01 -0.694896D+01
      2   0.873942D+01  0.386034D+01  0.430992D+01  0.115082D+01  0.957659D+01
      3   0.507278D+01  0.373124D+01  0.401791D+01  0.601632D+01 -0.262762D+01
      4   0.193598D+01  0.231841D+01 -0.130194D+01  0.100743D+02 -0.123509D+02
      5  -0.253983D+00 -0.284360D+01 -0.189556D+01  0.715783D+00 -0.525176D+01
      6   0.267749D+01  0.441590D+01  0.557913D+01  0.812052D+00  0.857285D+01
               366           367           368           369           370 
      1  -0.727182D+01 -0.137858D+02 -0.137711D+02 -0.161319D+02  0.699381D+02
      2   0.576731D+01  0.898040D+01  0.683338D+01  0.236985D+01 -0.407257D+02
      3   0.150452D+01  0.480538D+01  0.693777D+01  0.137620D+02 -0.292125D+02
      4  -0.561807D+01  0.103372D+01 -0.620276D+01 -0.885215D+01 -0.359627D+02
      5  -0.505736D+01  0.508311D+01 -0.101072D+02 -0.172095D+02 -0.509819D+02
      6   0.876932D+01  0.218481D+00  0.132548D+02  0.184421D+02  0.118635D+02
               371           372           373           374           375 
      1  -0.204017D+02 -0.305844D+02 -0.276753D+02  0.128681D+02  0.140712D+02
      2   0.111673D+02  0.213634D+02  0.147070D+02 -0.528919D+01 -0.897535D+01
      3   0.923437D+01  0.922102D+01  0.129684D+02 -0.757893D+01 -0.509583D+01
      4   0.201311D+02  0.211523D+02  0.290628D+02 -0.239173D+02 -0.200299D+02
      5   0.201231D+02  0.364079D+02  0.272561D+02 -0.194885D+02 -0.195471D+02
      6  -0.631835D+01 -0.799636D+01 -0.106306D+02  0.893523D+01  0.101438D+02
               376           377           378           379           380 
      1  -0.273010D+02  0.994921D+01  0.212726D+02 -0.174006D+02  0.564651D+01
      2   0.218938D+02 -0.746225D+01 -0.202039D+02  0.768784D+01  0.155380D+00
      3   0.540718D+01 -0.248696D+01 -0.106871D+01  0.971272D+01 -0.580189D+01
      4   0.206767D+02 -0.136548D+02 -0.181116D+02  0.534864D+01 -0.397139D+01
      5   0.425006D+02 -0.166528D+02 -0.396897D+02 -0.413145D+01  0.276738D+01
      6  -0.104272D+02  0.801169D+01  0.101823D+02 -0.260813D+01  0.869390D+00
               381           382           383           384           385 
      1  -0.802937D+01  0.155602D+02 -0.864632D+01  0.999862D+01 -0.123742D+02
      2   0.101901D+01 -0.761714D+01  0.177178D+01  0.229547D+00  0.576856D+01
      3   0.701036D+01 -0.794302D+01  0.687454D+01 -0.102282D+02  0.660569D+01
      4   0.390482D+01 -0.182008D+01  0.139851D+02 -0.999621D+01  0.417465D+01
      5  -0.125471D+01  0.235284D+01 -0.872542D+01  0.154708D+02  0.622560D+01
      6  -0.944525D+00  0.103660D+01 -0.646018D+01  0.527609D+01 -0.209656D+01
               386           387           388           389           390 
      1   0.824169D+01 -0.798215D+01  0.120812D+03  0.385093D+02 -0.127910D+02
      2   0.423487D+00 -0.743882D+01 -0.574239D+02 -0.166169D+02  0.641827D+01
      3  -0.866518D+01  0.154210D+02 -0.633885D+02 -0.218924D+02  0.637276D+01
      4  -0.859562D+01  0.783332D+01  0.473711D+02  0.270201D+02 -0.785412D+01
      5   0.789042D+01 -0.236849D+02 -0.147685D+02 -0.709841D+01  0.126262D+02
      6   0.551849D+01 -0.440722D+01 -0.476607D+01 -0.159660D+01  0.157273D+01
               391           392           393           394           395 
      1   0.616965D+02  0.321119D+02 -0.988191D+01 -0.309966D+02 -0.134473D+02
      2  -0.259192D+02 -0.111583D+02  0.443702D+01  0.152666D+02  0.642865D+01
      3  -0.357773D+02 -0.209536D+02  0.544489D+01  0.157300D+02  0.701865D+01
      4   0.444486D+02  0.313902D+02 -0.426911D+01 -0.168251D+02 -0.737518D+01
      5  -0.117383D+02 -0.381088D+01  0.628193D+01  0.225277D+02  0.657354D+01
      6  -0.292996D+01 -0.264618D+01  0.295214D+01  0.409802D+01  0.352408D+01
               396           397           398           399           400 
      1   0.160037D+02  0.493001D+02 -0.122884D+02  0.178265D+02 -0.322575D+02
      2  -0.871904D+01 -0.257811D+02  0.611003D+01 -0.104915D+02  0.156860D+02
      3  -0.728464D+01 -0.235190D+02  0.617838D+01 -0.733499D+01  0.165715D+02
      4   0.680062D+01 -0.165362D+02  0.143747D+02 -0.103893D+02  0.304971D+02
      5  -0.101502D+02  0.231245D+02 -0.106737D+02  0.151880D+02 -0.235775D+02
      6  -0.233594D+01 -0.486504D+01  0.248613D+01 -0.280792D+01  0.614103D+01
               401           402           403           404           405 
      1   0.199246D+02 -0.169308D+02  0.351312D+02 -0.141780D+02  0.177684D+02
      2  -0.820196D+01  0.876187D+01 -0.216133D+02  0.901347D+01 -0.140274D+02
      3  -0.117226D+02  0.816896D+01 -0.135178D+02  0.516454D+01 -0.374101D+01
      4  -0.284126D+02  0.163497D+02 -0.192888D+02  0.150361D+02 -0.165714D+02
      5   0.165516D+02 -0.220082D+02  0.296728D+02 -0.166102D+02  0.326337D+02
      6  -0.645265D+01  0.628463D+01 -0.588047D+01  0.563637D+01 -0.620144D+01
               406           407           408           409           410 
      1  -0.199782D+01  0.485321D+01 -0.470134D+01  0.193414D+02 -0.478817D+01
      2   0.308118D+01 -0.310904D+01  0.307849D+01 -0.411465D+01  0.208162D+02
      3  -0.108335D+01 -0.174417D+01  0.162286D+01 -0.152267D+02 -0.160281D+02
      4   0.469665D+01  0.365519D+01 -0.986575D+00  0.207621D+02  0.378707D+02
      5  -0.499623D+01  0.522323D+00  0.196554D+01  0.538938D+01 -0.319253D+01
      6  -0.347627D+01 -0.116753D+01  0.994952D+00  0.286478D+01  0.330553D+00
               411           412           413           414           415 
      1   0.589086D+01 -0.240072D+02  0.358952D+01 -0.132920D+01  0.238426D+02
      2  -0.631436D+01  0.913312D+01 -0.924309D+01  0.294972D+01 -0.167605D+02
      3   0.423496D+00  0.148741D+02  0.565357D+01 -0.162052D+01 -0.708211D+01
      4  -0.357519D+01 -0.383789D+01 -0.137093D+02  0.906306D+01  0.171690D+02
      5   0.795267D+01  0.448575D+01  0.961770D+01 -0.393856D+01  0.280387D+02
      6   0.529034D+01  0.170201D+01  0.419760D+01 -0.143577D+01  0.938347D+01
               416           417           418           419           420 
      1   0.662488D+01  0.130489D+02  0.846621D+01  0.343400D+01  0.327792D+01
      2  -0.380848D+01 -0.952894D+01 -0.285624D+01 -0.956842D-01 -0.193633D+01
      3  -0.281641D+01 -0.351994D+01 -0.560997D+01 -0.333832D+01 -0.134159D+01
      4   0.132884D+02  0.150731D+02  0.204353D+02  0.220635D+02  0.172804D+02
      5   0.150844D+02  0.247990D+02  0.166327D+02  0.182662D+02  0.174163D+02
      6   0.600603D+01  0.751870D+01  0.981295D+01  0.110814D+02  0.127901D+02
               421           422           423 
      1   0.236177D+02  0.556416D+01  0.567479D+01
      2  -0.196610D+02 -0.703752D+01 -0.167471D+02
      3  -0.395678D+01  0.147336D+01  0.110723D+02
      4   0.259190D+02  0.210441D+02  0.288936D+02
      5   0.420091D+02  0.298745D+02  0.549969D+02
      6   0.169452D+02  0.166005D+02  0.221456D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.950659D-01      0.241634D+00      0.806003D+00
   y          0.197034D+01      0.500811D+01      0.167053D+02
   z         -0.755367D-01     -0.191995D+00     -0.640427D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319824D+03      0.473930D+02      0.527318D+02
   yx        -0.323463D+00     -0.479322D-01     -0.533318D-01
   yy         0.257041D+03      0.380896D+02      0.423804D+02
   zx        -0.375546D+01     -0.556502D+00     -0.619192D+00
   zy         0.433822D+00      0.642858D-01      0.715276D-01
   zz         0.238012D+03      0.352698D+02      0.392430D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.287625D+03      0.426216D+02      0.474229D+02
   aniso      0.807111D+02      0.119602D+02      0.133075D+02
   xx         0.340007D+03      0.503839D+02      0.560596D+02
   yx        -0.481724D+00     -0.713841D-01     -0.794255D-01
   yy         0.271235D+03      0.401928D+02      0.447205D+02
   zx        -0.412455D+01     -0.611196D+00     -0.680047D+00
   zy         0.419476D+00      0.621600D-01      0.691623D-01
   zz         0.251632D+03      0.372880D+02      0.414885D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          5.41920543          0.90835898          3.19530028
     6          3.74078579         -1.03669411          1.98366581
     6          4.38065971         -2.25963263         -0.31893783
     6          6.77308246         -1.73927931         -1.73944987
     6          8.17329933          0.57034417         -0.68809535
     6          8.12769727          0.63979571          2.20102261
     6          2.53265495         -4.11075818         -0.80319070
     6          0.78329738         -4.08801053          1.22683945
     6          1.53577898         -2.21097528          2.97414634
     6          0.23953907         -1.55915500          5.40792479
     6         -0.63500686          1.21208633          5.43950717
     6         -1.70791481          2.01801258          2.94033269
     6         -3.86739375          1.00430799          1.70474081
     6         -4.28339442          2.41491700         -0.54744591
     6         -2.32914466          4.20079718         -0.76613201
     6         -0.74125147          3.96209848          1.37690641
     6         -5.71378764         -0.92845470          2.66037504
     6         -7.68242985         -1.61134608          0.64633035
     6         -8.67358715          0.73488494         -0.72106909
     6         -6.56100973          2.06765096         -2.19150140
    40          0.03752060         -0.01533496         -0.99027286
    17          2.60891457          2.40357237         -3.93919295
    17         -2.47708491         -2.46733642         -3.96283989
     1         -0.85882950         -5.28297289          1.40166138
     1          2.44531199         -5.32058238         -2.43836654
     1          4.75064823          2.82445750          2.80245467
     1          5.37745528          0.68818837          5.24846278
     1          9.27839831          2.20481236          2.89657267
     1          8.95882441         -1.09948132          2.95302419
     1          7.28899046          2.28487760         -1.41830676
     1         10.11990659          0.55864854         -1.37047733
     1          7.97811404         -3.41424112         -1.56976824
     1          6.38760761         -1.48502172         -3.74834535
     1          1.50138726         -1.91381917          7.00687072
     1         -1.37392749         -2.81467591          5.65579642
     1          0.95949075          2.43837510          5.88571333
     1         -2.02854452          1.49482544          6.93964160
     1          0.91838644          5.08024463          1.76504671
     1         -2.06700660          5.50795506         -2.30469338
     1         -6.66836425         -0.14484888          4.32502885
     1         -4.75753308         -2.63640368          3.30904097
     1         -9.23827626         -2.63448697          1.53485247
     1         -6.82728082         -2.88156193         -0.73671584
     1        -10.19214772          0.21214545         -2.01535844
     1         -9.48764246          2.04131203          0.66281174
     1         -6.07448576          0.94739993         -3.85485407
     1         -7.19894619          3.90852960         -2.87222168

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.197408D+01      0.501761D+01      0.167370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319872D+03      0.474002D+02      0.527398D+02
   yx        -0.281400D+00     -0.416992D-01     -0.463966D-01
   yy         0.237897D+03      0.352526D+02      0.392238D+02
   zx         0.279180D+01      0.413702D+00      0.460305D+00
   zy        -0.111942D+01     -0.165881D+00     -0.184567D+00
   zz         0.257109D+03      0.380996D+02      0.423915D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.287625D+03      0.426216D+02      0.474229D+02
   aniso      0.807111D+02      0.119602D+02      0.133075D+02
   xx         0.340077D+03      0.503942D+02      0.560711D+02
   yx        -0.236487D+00     -0.350437D-01     -0.389914D-01
   yy         0.251495D+03      0.372677D+02      0.414659D+02
   zx         0.293693D+01      0.435208D+00      0.484234D+00
   zy        -0.111626D+01     -0.165413D+00     -0.184047D+00
   zz         0.271302D+03      0.402028D+02      0.447317D+02

 ----------------------------------------------------------------------
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 ROSE IS A RED
 TY COBB IS BLUE
 'CAUSE PETE JUST HIT
 NO. 4592.
 Job cpu time:       2 days 18 hours 31 minutes  7.4 seconds.
 Elapsed time:       0 days  8 hours 21 minutes 33.0 seconds.
 File lengths (MBytes):  RWF=   1355 Int=      0 D2E=      0 Chk=     53 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 21:31:40 2021.
